SCHEMBL3672665

SCHEMBL3672665

C=CCNc1cc([O])ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.44
SLC2A1 P11166 1/20 0.43
ALDH1A1 P00352 7/20 0.40
LMNA P02545 5/20 0.40
HPGD P15428 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 5/20 0.36
HTT P42858 4/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 1/20 0.36
MTOR P42345 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL851034 0.79 ALDH1A1 (0.61) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL2814068 0.79 SLC2A1 (0.43) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL28497644 0.77 HCAR3 (0.61) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL11180350 0.74 HCAR3 (0.48) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL1002291 0.72 SLC2A1 (0.58) HCAR3SLC2A1ALDH1A1LMNAHPGD
Methane SCHEMBL28026804 0.70 SLC2A1 (0.56) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL11127455 0.70 HCAR3 (0.40) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL11127452 0.70 HCAR3 (0.40) HCAR3SLC2A1ALDH1A1LMNAHPGD
SCHEMBL1839657 0.69 SLC2A1 (0.44) HCAR3SLC2A1ALDH1A1KMT2APIM1
SCHEMBL7418413 0.68 ALDH1A1 (0.49) HCAR3SLC2A1ALDH1A1HPGDMEN1

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 6 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 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 (2 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 HCAR3 4617/4885SLC2A1 3575/4885ALDH1A1 1562/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 HCAR3 2925/4885SLC2A1 724/4885ALDH1A1 618/4885

“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.