SCHEMBL21979164

SCHEMBL21979164

Cc1c(Cl)ncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
GPR3 P46089 1/20 0.47
CYP2A6 P11509 6/20 0.43
CYP1A2 P05177 4/20 0.43
TSHR P16473 2/20 0.43
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
PMP22 Q01453 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PDE4B Q07343 2/20 0.36
PDE4A P27815 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27791799 0.78 KDM4E (0.50) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL12258315 0.78 GPR3 (0.50) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL3298150 0.75 KDM4E (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL12490240 0.75 KDM4E (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL28483779 0.75 KDM4E (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL14970136 0.75 GPR3 (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL2747868 0.75 KDM4E (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL19044145 0.75 KDM4E (0.47) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL16132399 0.75 KDM4E (0.42) KDM4EGPR3CYP2A6CYP1A2TSHR
SCHEMBL29839912 0.74 KDM4E (0.43) KDM4EGPR3CYP1A2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 CN disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (3 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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 KDM4E 1442/4885GPR3 2044/4885CYP2A6 3555/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 KDM4E 1209/4885GPR3 2564/4885CYP2A6 3370/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 KDM4E 1442/4885GPR3 2044/4885CYP2A6 3555/4885

“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.