SCHEMBL3536081

SCHEMBL3536081

c1cc2[nH]ncc2cc1NCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
CDC7 O00311 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ROCK2 O75116 11/20 0.49
CYP2D6 P10635 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL12628038 0.93 POLB (0.52) POLBMAPK1ROCK2ROCK1CCR2
SCHEMBL5404817 0.88 POLB (0.48) POLBTDO2ROCK2SLC6A2SLC6A4
SCHEMBL5405984 0.86 ROCK2 (0.53) POLBCDC7MAPK1ROCK2CYP2D6
SCHEMBL11934772 0.86 ULK1 (0.49) POLBROCK2ROCK1CCR2TRPM5
SCHEMBL13438658 0.86 ULK1 (0.49) POLBROCK2ROCK1CCR2TRPM5
SCHEMBL5418817 0.83 ROCK2 (0.48) POLBROCK2ROCK1CCR2TRPM5
SCHEMBL14514389 0.82 ROCK2 (0.65) CDC7KDM4EMEN1APAF1ALDH1A1
SCHEMBL14514391 0.82 ROCK2 (0.65) CDC7KDM4EMEN1APAF1ALDH1A1
SCHEMBL1716888 0.82 ROCK2 (0.65) CDC7KDM4EMEN1APAF1ALDH1A1
SCHEMBL5640223 0.81 EPHX1 (0.63) POLBMAPK1ROCK2GSK3BROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7812045-B2 Antifungal triazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-10-12 US 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-20080194661-A1 Antifungal Triazole Derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2008-08-14 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US 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 POLB 2753/4885IDO1 1393/4885TDO2 2427/4885
US-20080194661-A1 Antifungal Triazole Derivatives ERG28, CYP51A1, CYP3A43 POLB 2504/4885IDO1 501/4885TDO2 562/4885

“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.