SCHEMBL6163062

SCHEMBL6163062

Cc1c(C(=O)O)cccc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
KMO O15229 1/20 0.51
GPR35 Q9HC97 2/20 0.51
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
SYK P43405 1/20 0.48
CYP2A6 P11509 2/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
HNF4A P41235 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL29917759 0.86 GPR35 (0.48) HTTKDM4ELMNAKMOGPR35
SCHEMBL6237458 0.86 MKNK1 (0.58) LMNAMKNK1MKNK2CYP3A4CYP2C19
SCHEMBL27894364 0.83 MKNK1 (0.56) HTTKDM4ELMNAGPR35MKNK1
SCHEMBL15830641 0.83 KMT2A (0.53) KDM4EMKNK1MKNK2KMT2AALDH1A1
SCHEMBL29504659 0.83 HTT (0.56) HTTKDM4ELMNAKMOMKNK1
SCHEMBL30335331 0.83 HTT (0.56) HTTKDM4ELMNAKMOMKNK1
SCHEMBL1173860 0.83 HTT (0.56) HTTKDM4ELMNAKMOMKNK1
SCHEMBL121422 0.83 HNF4A (0.63) KDM4ELMNACYP3A4CYP2C9HNF4A
SCHEMBL28830427 0.82 KMO (0.53) HTTKDM4ELMNAKMOGPR35
SCHEMBL27845475 0.82 KMO (0.53) HTTKDM4ELMNAKMOGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978200-B Biphenylamide derivative, preparation method and application 湖北省生物农药工程研究中心 2022-09-13 CN disclosed
CN-111978200-A Bibenzamide derivative and preparation method and application thereof 湖北省生物农药工程研究中心 2020-11-24 CN disclosed
US-6979693-B2 Pyrazole derivatives-p38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC (US) 2005-12-27 US disclosed
EP-1075467-B1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2005-03-30 EP disclosed
US-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2003-01-23 US disclosed
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-10-24 US disclosed
US-6444696-B1 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) LLC 2002-09-03 US disclosed
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors GOLDSTEIN DAVID MICHAEL (US) 2002-08-01 US disclosed
EP-1218346-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-07-03 EP disclosed
US-6376527-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6316466-B1 Pyrazole derivatives P-38 MAP kinase inhibitors SYNTEX (U.S.A.) LLC 2001-11-13 US disclosed
WO-2001021591-A1 PYRAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-29 WO disclosed
EP-1075467-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2001-02-14 EP disclosed
WO-1999057101-A1 PYRAZOLE DERIVATIVES AS P-38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-11 WO disclosed
US-4937346-A Phenyl-azacykloalkanes Carlsson, Per Arvid Emil (SE) 1990-06-26 US disclosed
US-4719219-A Phenyl-azacycloalkanes and use thereof in treatment of central nervous system disorders Carlsson, Per A. E. (SE) 1988-01-12 US disclosed
US-4426386-A CNS DISORDERS ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1984-01-17 US disclosed
EP-0084920-A2 New compounds useful as intermediates or starting materials for preparation of therapeutically useful phenyl-azacycloalkanes Carlsson, Per Arvid Emil (SE) 1983-08-03 EP disclosed
EP-0030526-A1 New phenyl-azacycloalkanes, processes for preparation and pharmaceutical preparations for such compounds Astra Läkemedel Aktiebolag (SE) 1981-06-17 EP disclosed
WO-1981001552-A1 NEW PHENYL-AZACYCLOALKANES ASTRA LAEKEMEDEL AB (SE) 1981-06-11 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 (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-20030018051-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 HTT 4759/4885KDM4E 4214/4885LMNA 1840/4885
US-20020103245-A1 Pyrazole derivatives P38 MAP kinase inhibitors MAPK1, MAPK8, MAPKAPK2 HTT 4746/4885KDM4E 4148/4885LMNA 2094/4885
US-20020156114-A1 Pyrazole derivatives - p38 MAP kinase inhibitors MAPK1, MAPK8, MAP3K8 HTT 4759/4885KDM4E 4214/4885LMNA 1840/4885

“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.