SCHEMBL30078076

SCHEMBL30078076

O=Cc1c(Cl)cncc1OCc1cccnc1-c1ccnn1CCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C8 P10632 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
BDKRB2 P30411 5/20 0.32

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
SCHEMBL15068370 1.00 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16047983 0.92 CYP1A2 (0.45) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16656142 0.89 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL18995864 0.87 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068335 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL30077991 0.85 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL29477106 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068400 0.83 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL16034012 0.82 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C8CYP2C9CYP2C19
SCHEMBL15068325 0.82 CYP1A2 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322704-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-10-12 US disclosed
US-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-12-20 US 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 (2 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-11530191-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB CYP1A2 760/4885CYP3A4 341/4885CYP2C8 396/4885

“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.