SCHEMBL1269895

SCHEMBL1269895

S=[C]Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PTPN1 P18031 3/20 0.42
PTPN11 Q06124 1/20 0.42
CYP1A2 P05177 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL57468 0.85
SCHEMBL11413359 0.82
SCHEMBL27859730 0.80 MGLL (0.50) MMP8MMP14CA14
SCHEMBL5026944 0.76 DHODH (0.43) ALDH1A1PTPN1PTPN11CYP1A2TAAR1
SCHEMBL28114925 0.76 ALDH1A1 (0.43) ALDH1A1PTPN1PTPN11CYP1A2TAAR1
SCHEMBL1176858 0.76 PTPN1 (0.47) ALDH1A1PTPN1PTPN11TAAR1MAPK1
SCHEMBL10466224 0.76 HTT (0.51) ALDH1A1HTTSMN1; SMN2MMP8MMP14
SCHEMBL10465840 0.72 IDO1 (0.41) MMP8
SCHEMBL21514977 0.71 ALDH1A1 (0.71) ALDH1A1PTPN1PTPN11CYP1A2TAAR1
SCHEMBL5370467 0.71 ALDH1A1 (0.71) ALDH1A1PTPN1PTPN11CYP1A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470844-B2 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2013-06-25 US disclosed
EP-2155747-B1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LTD (GB) 2012-10-24 EP disclosed
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS GE HEALTHCARE LIMITED (GB) 2011-08-25 US disclosed
WO-2011056725-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-05-12 WO disclosed
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2011-02-03 US disclosed
US-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use TECHNION RESEARCH & DEVELOPMENT FOUNDATION LTD. (IL) 2010-06-03 US disclosed
EP-2188295-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Crystalgenomics, Inc. (KR) 2010-05-26 EP disclosed
EP-2155747-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS Acadia Pharmaceuticals Inc. (US) 2010-02-24 EP disclosed
WO-2010018458-A2 PHENOL DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2010-02-18 WO disclosed
WO-2009037570-A2 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF CRYSTALGENOMICS, INC. (KR) 2009-03-26 WO disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2001025203-A1 PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-12 WO disclosed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO disclosed
WO-2001023887-A1 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO disclosed
WO-2001021634-A1 BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-29 WO disclosed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO disclosed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 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-20100137351-A1 Imidazoacridinone derivative compounds and methods for their use IDH3A, IDH3B, ABL1 ALDH1A1 80/4885PTPN1 3549/4885PTPN11 3500/4885
US-20110206607-A1 IMIDAZOL (1,2-A)PYRIDINES AND RELATED COMPOUNDS WITH ACTIVITY AT CANNABINOID CB2 RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 3205/4885PTPN1 1267/4885PTPN11 1276/4885
US-20110028507-A1 PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF EGLN3, EGLN2, HIF1A ALDH1A1 201/4885PTPN1 2021/4885PTPN11 2002/4885

“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.