SCHEMBL3096806

SCHEMBL3096806

CCN(CC)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.49
▸ BRAF P15056 1/20 0.49
▸ MMP2 P08253 5/20 0.46
▸ MMP9 P14780 5/20 0.46
▸ MMP8 P22894 5/20 0.46
▸ MMP13 P45452 3/20 0.46
▸ TACR3 P29371 1/20 0.46
▸ TNKS O95271 1/20 0.46
▸ TNKS2 Q9H2K2 1/20 0.46
▸ CHEK2 O96017 2/20 0.46
▸ MMP3 P08254 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ USP2 O75604 1/20 0.44

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
SCHEMBL11949001 0.94 MMP2 (0.52) RAF1BRAFMMP2MMP9MMP8
SCHEMBL3103864 0.89 TUBB4A (0.45) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3097365 0.87 SMN1; SMN2 (0.46) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL11949055 0.87 RAF1 (0.47) RAF1BRAFTACR3NPC1RAB9A
SCHEMBL3109194 0.86 TUBB4A (0.47) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3110175 0.85 KDM4E (0.41) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3099868 0.83 MMP2 (0.62) MMP2MMP9MMP8MMP13MMP3
SCHEMBL3096798 0.82 CYP2D6 (0.47) RAF1BRAFNPC1RAB9AKDM4E
SCHEMBL3098570 0.82 MMP2 (0.57) MMP2MMP9MMP8MMP13CHEK2
SCHEMBL3096830 0.81 MMP2 (0.49) MMP2MMP9MMP8MMP13CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2154966-B1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2013-08-21 — — EP disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — 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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR RAF1 2278/4885BRAF 694/4885MMP2 4155/4885

“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.

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