SCHEMBL344237

SCHEMBL344237

COc1cc(F)[c]cc1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
AMY1A P0DUB6 1/20 0.33
TUBB1 Q9H4B7 3/20 0.32
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
KDM1A O60341 2/20 0.31
NFE2L2 Q16236 1/20 0.31
ACHE P22303 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
SCHEMBL1299376 0.84 CYP3A4 (0.37) LMNAMAPK1HTTRAB9ACYP3A4
SCHEMBL2351921 0.82 RAB9A (0.37) LMNAMAPK1HTTRAB9AAMY1A
SCHEMBL1636803 0.80 TUBB1 (0.33) LMNAMAPK1HTTRAB9AAMY1A
SCHEMBL5842993 0.80 TUBB1 (0.33) TUBB1CYP3A4MAPTACHE
SCHEMBL7255898 0.80 ACHE (0.33) LMNAMAPK1HTTRAB9AAMY1A
SCHEMBL1637015 0.78 POLB (0.33) LMNAMAPK1HTTRAB9AAMY1A
SCHEMBL1637735 0.78 NPC1 (0.33) LMNAMAPK1HTTRAB9AAMY1A
SCHEMBL1299740 0.78 MAOB (0.42) LMNAMAPK1HTTRAB9ACYP3A4
SCHEMBL2344135 0.78 GAA (0.41) LMNAMAPK1RAB9AMAPT
SCHEMBL15063816 0.77 HTT (0.38) LMNAMAPK1HTTTUBB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
WO-2024073282-A2 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
WO-2024073283-A1 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
EP-3997083-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2022-05-18 EP claimed
CN-114127066-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2022-03-01 CN claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
WO-2021005222-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-01-14 WO claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
CN-101686989-B Substituted imidazoheterocycles 卡拉治疗学股份有限公司 2016-10-19 CN claimed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP claimed
EP-2170350-A2 SUBSTITUTED IMIDAZOHETEROCYCLES Cara Therapeutics, Inc. (US) 2010-04-07 EP claimed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US claimed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 US claimed
WO-2008157751-A2 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-24 WO claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
WO-2024073283-A1 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO disclosed
WO-2008078291-A1 5,6,7,8-TETRAHYDRO-IMIDAZO[1,5-A]PYRAZINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-07-03 WO disclosed
US-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi BASF AKITENGESELLSCHAFT (DE) 2008-06-26 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-20080153707-A1 Pyrazolecarboxanilides, Process for Their Preparation and Compositions Comprising Them for Controlling Harmful Fungi CBR3, C1S, PYM1 LMNA 1073/4885MAPK1 2032/4885HTT 3205/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 LMNA 3582/4885MAPK1 664/4885HTT 3920/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 LMNA 4643/4885MAPK1 3817/4885HTT 2467/4885

“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.