Sugi Predict

Sugi Predict / Compounds / SCHEMBL3538596

SCHEMBL3538596

SCHEMBL3538596

COc1cc2[nH]nc(-c3nc4cc(C(F)(F)F)ccc4n3C)c2cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ CTSV O60911 2/20 0.40
▸ CTSL P07711 2/20 0.40
▸ PTGES O14684 1/20 0.40
▸ SRD5A1 P18405 2/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ TLR7 Q9NYK1 4/20 0.38
▸ TLR9 Q9NR96 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL3590449 0.89 CACNA1D (0.41) KDM4ECNR2POLB
SCHEMBL3540087 0.88 ABL1 (0.49) ABL1HDAC1HDAC8CTSVCTSL
SCHEMBL3546038 0.85 PTGES (0.47) ABL1PTGESSRD5A2CNR2
SCHEMBL3542920 0.85 PTGES (0.47) ABL1PTGESSRD5A2CNR2
SCHEMBL3535832 0.84 ABL1 (0.45) ABL1CTSVCTSLPTGESKDM4E
SCHEMBL3541984 0.78 ABL1 (0.42) ABL1KDM4EPOLB
SCHEMBL3533928 0.77 ADORA1 (0.44) KDM4EALDH1A1GAATP53POLB
SCHEMBL3533624 0.77 ABL1 (0.55) ABL1TLR7TLR9KDM4EALDH1A1
SCHEMBL3538588 0.76 MAP2K4 (0.39) ABL1
SCHEMBL169889 0.75 LRRK2 (0.43) HDAC1HDAC8PTGESHTR2BCNR2

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-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-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-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-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 (1 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 ABL1 1/4885HDAC1 703/4885HDAC8 346/4885

“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.