SCHEMBL509499

SCHEMBL509499

O=Cc1ccc(OCc2ccccn2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
KDM4E B2RXH2 3/20 1.00
HPGD P15428 2/20 0.59
PARP10 Q53GL7 1/20 0.59
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
LMNA P02545 2/20 0.55
RAB9A P51151 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TLR4 O00206 1/20 0.49
TLR2 O60603 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
PDE10A Q9Y233 1/20 0.45
MAOB P27338 1/20 0.45
SYK P43405 1/20 0.44
AURKB Q96GD4 1/20 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
SCHEMBL13883090 0.88 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL2991930 0.85 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL30777705 0.84 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL1299578 0.84 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL13268086 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL12948045 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL510249 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL14008497 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL13268124 0.82 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10
SCHEMBL29417058 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2KDM4EHPGDPARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
EP-3323816-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2019-07-03 EP disclosed
EP-3323816-A1 NOVEL PYRAZOLE DERIVATIVE Green Tech Co., Ltd. (JP) 2018-05-23 EP disclosed
EP-2698368-B1 NOVEL PYRAZOLE DERIVATIVE GREEN TECHNOLOGY CO LTD (JP) 2018-02-14 EP disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
CN-103717588-B Pyrazole derivatives 绿色科技株式会社 2016-08-03 CN disclosed
US-9399635-B2 Pyrazole derivative GREEN TECH CO., LTD. (JP) 2016-07-26 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
US-8841327-B2 Heterocycles substituted pyridine derivatives and antifungal agent containing thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-09-23 US disclosed
EP-1504013-A4 HYDROXYPHOSPHONATES AND PHOSPHONOPHOSPHATES AS APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS INC (US) 2006-05-03 EP disclosed
EP-1504013-A2 HYDROXYPHOSPHONATES AND PHOSPHONOPHOSPHATES AS APOLIPOPROTEIN E MODULATORS Ilex Products, Inc. (US) 2005-02-09 EP disclosed
EP-0951471-B1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
WO-2003094852-A2 HYDROXYPHOSPHONATES AND PHOSPHONOPHOSPHATES AS APOLIPOPROTEIN E MODULATORS ILEX PRODUCTS, INC. (US) 2003-11-20 WO disclosed
US-6300501-B1 Histidine-(N-benzyl glycinamide) inhibitors of protein farnesyl transferase WARNER-LAMBERT COMPANY 2001-10-09 US disclosed
US-6281194-B1 E.G., (S)-(1-((4-BENZYLOXY-BENZYL)-(((1-PHENYL-CYCLOBUTYLMETHYL)-CAR BAMOYL)-METHYL)-CARBAMOYL)-2-(1H-IMIDAZOL-4-YL)-ETHYL)-CARBAMI C ACID BENZYL ESTER WARNER-LAMBERT COMPANY 2001-08-28 US disclosed
EP-0951471-A1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-10-27 EP disclosed
EP-0938494-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1999-09-01 EP disclosed
WO-1998027109-A1 CYCLOALKYL INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed
WO-1997044350-A1 INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1997-11-27 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 (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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 ALDH1A1 3831/4885SMN1; SMN2 4878/4885KDM4E 4563/4885

“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.