SCHEMBL3539199

SCHEMBL3539199

CN(OCc1ccc(F)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
KMT2A Q03164 3/20 0.42
PPARA Q07869 2/20 0.41
LMNA P02545 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
FABP7 O15540 1/20 0.39
FABP5 Q01469 1/20 0.39
MAOB P27338 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL21484985 0.87 TSHR (0.46) IDO1AGXTLMNATAAR1MAPT
SCHEMBL10786006 0.72 CRHBP (0.57) KMT2APPARATAAR1MAPTALDH1A1
SCHEMBL28228689 0.71 APP (0.41) KMT2ALMNATAAR1POLBMAPT
SCHEMBL9320965 0.70 MEN1 (0.39) KMT2AHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL28966020 0.70 IDO1 (0.54) IDO1AGXTKMT2ALMNAMAPT
SCHEMBL4343354 0.70 TSHR (0.71) IDO1AGXTKMT2ALMNAMAPT
SCHEMBL28028742 0.68 APP (0.38) LMNATAAR1POLBMAPTHTT
SCHEMBL24632162 0.68 TSHR (0.52) IDO1AGXTTAAR1MAPTALDH1A1
SCHEMBL307380 0.68 CES1 (0.49) KMT2ALMNAPOLBHTTSMN1; SMN2
SCHEMBL1674458 0.68 TSHR (0.52) IDO1AGXTKMT2ALMNATAAR1

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 IDO1 1393/4885AGXT 3408/4885KMT2A 1429/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 IDO1 163/4885AGXT 2006/4885KMT2A 3144/4885

“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.