SCHEMBL3040698

SCHEMBL3040698

CCNc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
ALDH1A1 P00352 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
RAB9A P51151 1/20 0.60
GRIK1 P39086 10/20 0.54
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGES O14684 1/20 0.49
FABP4 P15090 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
SCHEMBL15635741 0.87 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1397659 0.86 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27711176 0.85 ALDH1A1 (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3236365 0.83 ALDH1A1 (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL496532 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL432775 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL432773 0.81 KDM4E (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5386530 0.81 PLK1 (0.58) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL17938290 0.81 ALDH1A1 (0.63) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8432960 0.81 MEN1 (0.56) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 CN disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 WO disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 EP disclosed
US-4089078-A Arylazopyrazolone dyes for polyester AMERICAN COLOR & CHEMICAL CORPORATION (US) 1978-05-16 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-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 KDM4E 2520/4885ALDH1A1 380/4885MEN1 1485/4885

“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.