SCHEMBL134108

SCHEMBL134108

Fc1ccc(-c2ccccc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.53
CYP2B6 P20813 3/20 0.53
CYP2E1 P05181 1/20 0.53
NPC1 O15118 2/20 0.50
NFKB1 P19838 2/20 0.50
RAB9A P51151 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DHODH Q02127 1/20 0.50
CYP11B2 P19099 1/20 0.44
GRM5 P41594 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
JAK2 O60674 1/20 0.43
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
GSK3A P49840 1/20 0.43
RPS6KA3 P51812 1/20 0.43
LIMK1 P53667 1/20 0.43

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
SCHEMBL26104326 0.87 CYP2A6 (0.64) CYP2A6CYP2B6CYP2E1DHODHCYP11B2
SCHEMBL753744 0.83 CYP2A6 (0.55) CYP2A6CYP2B6CYP2E1NPC1RAB9A
SCHEMBL2217759 0.80 CYP2A6 (0.62) CYP2A6CYP2B6CYP2E1SMN1; SMN2CYP11B2
SCHEMBL968383 0.79 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1NPC1NFKB1
SCHEMBL22130223 0.79 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1NPC1RAB9A
SCHEMBL3831923 0.79 CYP2A6 (0.57) CYP2A6CYP2B6CYP2E1SMN1; SMN2CYP11B2
SCHEMBL30098437 0.79 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1NPC1RAB9A
SCHEMBL21410153 0.79 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1DHODHCYP11B2
SCHEMBL12947816 0.79 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1NPC1NFKB1
SCHEMBL15455285 0.77 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1DHODHCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN claimed
US-20260123282-A1 POLYCYCLIC COMPOUND, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SAMSUNG DISPLAY CO LTD (KR) 2026-04-30 US disclosed
CN-119841870-A Platinum complex derivative containing intramolecular high-entropy charge transfer and application thereof 厦门大学 2025-04-18 CN disclosed
CN-105237513-B A kind of trinitrogenazole alcohol heteroaromatic ether derivative and its preparation method and application 上海倚诺升生物医药科技有限公司 2018-01-23 CN disclosed
CN-105237513-A Triazole aromatic alcohol heterocyclic ether derivative and preparing method and application thereof SHANGHAI YINUOSHENG BIOPHARMACEUTICAL TECHNOLOGY CO LTD 2016-01-13 CN disclosed
US-20150266818-A1 COMPOUNDS AND THEIR SYNTHESIS UCL BUSINESS PLC (GB) 2015-09-24 US disclosed
US-20150266818-A1 COMPOUNDS AND THEIR SYNTHESIS UCL BUSINESS PLC (GB) 2015-09-24 US disclosed
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN disclosed
EP-2010485-B1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2012-10-17 EP disclosed
EP-1919891-B1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES VERTEX PHARMA (US) 2012-03-07 EP disclosed
US-7691885-B2 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 US disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists PROSIDION LIMITED (GB) 2009-11-12 US disclosed
EP-1919891-A1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES Vertex Pharmaceuticals Incorporated (US) 2008-05-14 EP disclosed
WO-2007116230-A1 AZETIDINE DERIVATIVES AS G-PROTEIN COUPLED RECEPTOR (GPR119 ) AGONISTS PROSIDION LTD (GB) 2007-10-18 WO disclosed
US-20070155794-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-20070155794-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-20070155794-A1 Pyridones useful as inhibitors of kinases VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
WO-2007027594-A1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 WO disclosed
WO-2007027594-A1 3,5-DISUBSTITUTED PYRID-2-ONES USEFUL AS INHIBITORS OF TEC FAMILY OF NON-RECEPTOR TYROSINE KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-03-08 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 (4 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-20260123282-A1 POLYCYCLIC COMPOUND, LIGHT-EMITTING DEVICE AND ELECTRONIC DEVICE SCO2, RFC1, RFC2 CYP2A6 1989/4885CYP2B6 1423/4885CYP2E1 53/4885
US-20090281076-A1 Azetidine Derivatives as G-Protein Coupled Receptor (GPR119) Agonists GPR119, GPR39, GIPR CYP2A6 1711/4885CYP2B6 1666/4885CYP2E1 2047/4885
US-20150266818-A1 COMPOUNDS AND THEIR SYNTHESIS ARSA, CCNL2, ATXN2L CYP2A6 998/4885CYP2B6 376/4885CYP2E1 643/4885
US-20070155794-A1 Pyridones useful as inhibitors of kinases MAP3K20, MAP3K6, MAP3K5 CYP2A6 1760/4885CYP2B6 1233/4885CYP2E1 2877/4885

“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.