SCHEMBL3708679

SCHEMBL3708679

NC(=O)c1nc2cc(F)c(F)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.43
HSD17B2 P37059 7/20 0.43
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAOB P27338 5/20 0.39
DYRK1A Q13627 2/20 0.37
SMYD3 Q9H7B4 1/20 0.36
STING1 Q86WV6 1/20 0.36
AKR1B1 P15121 2/20 0.36
AKR1A1 P14550 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
SCHEMBL28904462 0.84 HSD17B1 (0.48) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL25219100 0.81 MAOB (0.48) HSD17B1HSD17B2MAOBSMYD3
SCHEMBL417526 0.79 DYRK1A (0.54) HSD17B1HSD17B2MAOBDYRK1ASMYD3
SCHEMBL30770326 0.79 GFER (0.57) HSD17B1HSD17B2MAOBDYRK1ASMYD3
SCHEMBL2656824 0.79 GFER (0.57) HSD17B1HSD17B2MAOBDYRK1ASMYD3
SCHEMBL4072639 0.79 KDM4E (0.41) HSD17B1HSD17B2MAOBDYRK1ASTING1
SCHEMBL3081066 0.79 SMN1; SMN2 (0.55) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL29180088 0.78 HSD17B1 (0.38) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL30770324 0.78 HSD17B1 (0.38) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL10400900 0.75 STING1 (0.63) MAOBDYRK1ASTING1

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
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
CN-115427412-B Nitrogen-containing fused ring derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-02-20 CN disclosed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (1 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HSD17B1 2253/4885HSD17B2 1968/4885CYP1A2 744/4885

“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.