SCHEMBL12900956

SCHEMBL12900956

Cc1ccc(Cl)c(C(=O)NOCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.64
▸ NPC1 O15118 8/20 0.64
▸ PTGS2 P35354 2/20 0.58
▸ ATM Q13315 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ PPARG P37231 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ EGFR P00533 1/20 0.45

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
SCHEMBL17464244 0.79 DHODH (0.56) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL20018152 0.76 ALDH1A1 (0.68) RAB9ANPC1L3MBTL1PPARGMEN1
SCHEMBL1715306 0.75 POLB (0.54) RAB9ANPC1PTGS2L3MBTL1KMT2A
SCHEMBL18160386 0.74 MEN1 (0.69) RAB9APPARGMEN1KMT2ALMNA
SCHEMBL7956547 0.74 RAB9A (0.68) RAB9ANPC1PTGS2KMT2AKDM4E
SCHEMBL20872521 0.73 RAB9A (0.71) RAB9ANPC1PTGS2MEN1KMT2A
SCHEMBL2868817 0.73 NPC1 (0.64) RAB9ANPC1PTGS2ATML3MBTL1
Benzene SCHEMBL28942515 0.73 RAB9A (0.71) RAB9ANPC1PTGS2MEN1KMT2A
SCHEMBL16687348 0.73 KMT2A (0.54) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL28893760 0.72 NPC1 (0.65) RAB9ANPC1PTGS2ATML3MBTL1

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
US-7879887-B2 such as 2-(4-chloro-3-hydroxyphenylamino)-N-(6H-pyrazolo[4',3':3,4]benzo[1,2-d]thiazol-2-yl)-acetamide, having antitumor activity, particularly dual inhibitory activity on Aurora kinase and cyclin-dependent kinase (CDK), and are useful for cell proliferative diseases such as cancer NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-02-01 — — US disclosed
US-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-11-05 — — US disclosed
EP-2045253-A1 a-AMINO ACID DERIVATIVE AND PHARMACEUTICAL COMPRISING THE SAME AS ACTIVE INGREDIENT Nissan Chemical Industries, Ltd. (JP) 2009-04-08 — — EP 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-20090275623-A1 ALPHA-AMINO ACID DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME AS AN ACTIVE INGREDIENT CCNA1, AURKA, CDK1 RAB9A 3986/4885NPC1 3238/4885PTGS2 4477/4885

“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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