SCHEMBL15083754

SCHEMBL15083754

CC(C)n1nccc1-c1ncccc1CCl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C8 P10632 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ NR3C2 P08235 1/20 0.35
▸ PDE1A P54750 2/20 0.33
▸ PDE1B Q01064 2/20 0.33
▸ PDE1C Q14123 2/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ USP1 O94782 3/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ MAP3K12 Q12852 1/20 0.30
▸ NPC1 O15118 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL15068393 0.99 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL19583170 0.99 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15083758 0.89 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL24026838 0.88 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15088059 0.87 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL19600203 0.87 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL21271519 0.87 CYP1A2 (0.54) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL25022433 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15065399 0.85 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL19605454 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 127 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3919056-B1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
WO-2023248174-A1 AN IMPROVED PROCESS FOR PREPARATION OF VOXELOTOR HETERO LABS LIMITED (IN) 2023-12-28 — — WO disclosed
EP-4289813-A2 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION Global Blood Therapeutics, Inc. (US) 2023-12-13 — — EP disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 — — US disclosed
EP-3738434-B1 INTERMEDIATES TO OBTAIN SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-09-13 — — EP disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 — — US disclosed
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS INC (US) 2023-08-17 — — US disclosed
US-20230219922-A1 PROCESS FOR SYNTHESIZING 2-HYDROXY-6-((2-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-PYRIDIN-3-YL)METHOXY)BENZALDEHYDE GLOBAL BLOOD THERAPEUTICS, INC. 2023-07-13 — — US disclosed
WO-2014150261-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATON OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2014-09-25 — — WO disclosed
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 — — US disclosed
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 — — US disclosed
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. 2014-09-18 — — US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 — — US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 — — US disclosed
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 — — US disclosed
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-25 — — US disclosed
WO-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 — — WO disclosed
WO-2013102142-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-20230255963-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 447/4885CYP3A4 201/4885CYP2C8 129/4885
US-20230219922-A1 PROCESS FOR SYNTHESIZING 2-HYDROXY-6-((2-(1-ISOPROPYL-1H-PYRAZOL-5-YL)-PYRIDIN-3-YL)METHOXY)BENZALDEHYDE HBG2, HBG1, HBB CYP1A2 393/4885CYP3A4 328/4885CYP2C8 487/4885
US-20130190315-A1 SUBSTITUTED BENZALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 447/4885CYP3A4 201/4885CYP2C8 129/4885
US-20140275152-A1 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885
US-20130190316-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION HBB, HBG2, MB CYP1A2 229/4885CYP3A4 106/4885CYP2C8 83/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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