SCHEMBL21816566

SCHEMBL21816566

FC(F)Oc1ccc(-c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ CCR1 P32246 2/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ CCR8 P51685 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ METAP1 P53582 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ DOHH Q9BU89 1/20 0.45
▸ P4HTM Q9NXG6 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44

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
SCHEMBL14446358 0.82 CYP1A2 (0.58) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30117418 0.81 GRM4 (0.51) CYP1A2GAAMAPTKDM4ELMNA
SCHEMBL22954280 0.81 GRM4 (0.51) CYP1A2GAAMAPTKDM4ELMNA
SCHEMBL22389477 0.78 CYP1A2 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30989132 0.78 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1566968 0.78 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL30989133 0.78 KDM4E (0.72) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL29984274 0.76 KDM4E (0.68) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL13458076 0.76 KDM4E (0.68) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL21745519 0.76 KDM4E (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240389588-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-11-28 — — US disclosed
US-12022832-B2 Compounds and methods for treating nematode infections THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-07-02 — — US disclosed
US-12022832-B2 Compounds and methods for treating nematode infections THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-07-02 — — US disclosed
US-12022832-B2 Compounds and methods for treating nematode infections THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-07-02 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 — — US disclosed
US-20220354117-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2022-11-10 — — US disclosed
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-02-04 — — US disclosed
WO-2020051689-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 — — WO disclosed
WO-2020051689-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2020-03-19 — — 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 (5 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-12022832-B2 Compounds and methods for treating nematode infections HNMT, NISCH, HRH2 CYP1A2 203/4885CYP2D6 497/4885CYP19A1 484/4885
US-20220354117-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS HNMT, NISCH, HRH2 CYP1A2 203/4885CYP2D6 497/4885CYP19A1 484/4885
US-20210032181-A1 DIFLUOROMETHOXYLATION AND TRIFLUOROMETHOXYLATION COMPOSITIONS AND METHODS FOR SYNTHESIZING SAME AFF2, AFF4, AFF1 CYP1A2 133/4885CYP2D6 271/4885CYP19A1 344/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 CYP1A2 133/4885CYP2D6 271/4885CYP19A1 344/4885
US-20240389588-A1 COMPOUNDS AND METHODS FOR TREATING NEMATODE INFECTIONS HNMT, NISCH, HRH2 CYP1A2 203/4885CYP2D6 497/4885CYP19A1 484/4885

“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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