SCHEMBL772349

SCHEMBL772349

[CH2]CN1CCCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CHRM2 P08172 7/20 0.55
CHRM4 P08173 7/20 0.55
CHRM1 P11229 7/20 0.55
CHRM3 P20309 7/20 0.55
ALOX15 P16050 2/20 0.55
USP2 O75604 1/20 0.55
CDK4 P11802 1/20 0.55
CCND1 P24385 1/20 0.55
GAA P10253 1/20 0.54
TAAR1 Q96RJ0 1/20 0.51
SIGMAR1 Q99720 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL1198903 0.88 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL7951597 0.84 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL11183187 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL7589564 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3115249 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL19908414 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3233063 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL3108676 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL16372262 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL30487785 0.81 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ACHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 EP disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-17 US disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-7544676-B2 Sulfamoyl benzamides and methods of their use ADOLOR CORPORATION (US) 2009-06-09 US disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
EP-1802297-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION The Burnham Institute (US) 2007-07-04 EP disclosed
WO-2007058960-A1 SULFAMOYL BENZAMIDES AS CANNABINOID RECEPTOR MODULATORS ADOLOR CORPORATION (US) 2007-05-24 WO disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
WO-2006047162-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION THE BURNHAM INSTITUTE (US) 2006-05-04 WO disclosed
US-20060079557-A1 Sulfamoyl benzamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-13 US disclosed
US-3983121-A 1-Substituted 4-(β-2-quinolylethyl)piperazines and 1,2,3,4-tetrahydroquinolyl-ethyl analogues thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 1976-09-28 US disclosed
US-3983121-A 1-Substituted 4-(β-2-quinolylethyl)piperazines and 1,2,3,4-tetrahydroquinolyl-ethyl analogues thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 1976-09-28 US disclosed
US-3983121-A 1-Substituted 4-(β-2-quinolylethyl)piperazines and 1,2,3,4-tetrahydroquinolyl-ethyl analogues thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 1976-09-28 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MEN1 4753/4885KMT2A 1865/4885
US-20060079557-A1 Sulfamoyl benzamide derivatives and methods of their use CNR2, TRPV1, CNR1 ALDH1A1 3146/4885MEN1 3148/4885KMT2A 1089/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 ALDH1A1 351/4885MEN1 4852/4885KMT2A 2063/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 ALDH1A1 750/4885MEN1 4753/4885KMT2A 1865/4885
US-20090312352-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION PTPRS, PTPRO, PTPN5 ALDH1A1 4492/4885MEN1 2038/4885KMT2A 2395/4885

“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.