SCHEMBL3613613

SCHEMBL3613613

C=CCN[C](C=C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.37
FAAH O00519 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL906353 0.74
SCHEMBL4061442 0.72
SCHEMBL10337342 0.70
SCHEMBL2250254 0.69 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL3505660 0.69 FAAH (0.59) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL13834579 0.68
SCHEMBL31386 0.68
SCHEMBL10380003 0.67 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL3762474 0.67 TSHR (0.43) ALDH1A1TSHRSMN1; SMN2MAPTKMT2A
SCHEMBL9298897 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US claimed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US claimed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US claimed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP claimed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US claimed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 WO claimed
US-10405539-B2 Composition THE UNIVERSITY OF QUEENSLAND (AU) 2019-09-10 US disclosed
US-20180177185-A1 COMPOSITION THE UNIVERSITY OF QUEENSLAND (AU) 2018-06-28 US disclosed
EP-3322295-A1 COMPOSITION The University of Queensland (AU) 2018-05-23 EP disclosed
WO-2016201523-A1 COMPOSITION THE UNIVERSITY OF QUEENSLAND (AU) 2016-12-22 WO disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation ICOS CORPORATION (US) 2007-08-09 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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 (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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK ALDH1A1 1562/4885TSHR 4110/4885SMN1; SMN2 1141/4885
US-20180177185-A1 COMPOSITION EXOSC9, EXOSC5, AGO2 ALDH1A1 4118/4885TSHR 3980/4885SMN1; SMN2 1061/4885
US-20070185013-A1 Use of chk1 inhibitors to control cell proliferation CHEK1, CHEK2, CDC25C ALDH1A1 3604/4885TSHR 3502/4885SMN1; SMN2 2983/4885
US-10405539-B2 Composition EXOSC9, EXOSC5, AGO2 ALDH1A1 4118/4885TSHR 3980/4885SMN1; SMN2 1061/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 ALDH1A1 618/4885TSHR 3919/4885SMN1; SMN2 2958/4885

“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.