SCHEMBL3540865

SCHEMBL3540865

CN1CCCC(Oc2ccc(N)c([N+](=O)[O-])c2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL22348729 0.94 ALDH1A1 (0.45) PARP1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL22236053 0.88 ALDH1A1 (0.46) PARP1ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL3276264 0.82 KDM4E (0.46) PARP1ALDH1A1TDP1MAPTPOLB
SCHEMBL3538827 0.82 PARP1 (0.47) PARP1ALDH1A1POLBHTT
SCHEMBL3531247 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKMT2ALMNAHTT
SCHEMBL14017665 0.79 PARP1 (0.44) PARP1ALDH1A1HTT
SCHEMBL22348656 0.78 MAPT (0.54) PARP1ALDH1A1TDP1TSHRMAPT
SCHEMBL30880140 0.78 MAPT (0.54) PARP1ALDH1A1TDP1TSHRMAPT
SCHEMBL3923360 0.77 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL6598664 0.76 PARP1 (0.41) PARP1ALDH1A1MEN1POLBKMT2A

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 PARP1 2884/4885ALDH1A1 1562/4885TDP1 1365/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 PARP1 3123/4885ALDH1A1 618/4885TDP1 2989/4885

“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.