SCHEMBL9817876

SCHEMBL9817876

COc1cc(NC(C)=O)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 5/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
ALOX15 P16050 1/20 0.52
HTT P42858 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL12386255 0.87 GRM4 (0.60) GRM4ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL5952099 0.86 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL1851780 0.85 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL30492996 0.85 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL31184650 0.84 GRM4 (0.61) GRM4ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL258201 0.82 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL30675560 0.82 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2MAPK1LMNAALOX15
SCHEMBL5755555 0.81 GRM4 (0.55) GRM4ALDH1A1SMN1; SMN2MAPK1LMNA
SCHEMBL9447193 0.81 CYP1A2 (0.56) GRM4ALDH1A1LMNAMAPTMEN1
SCHEMBL11487853 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPK1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022087475-A1 REVERSE TRANSCRIPTION OF POLYNUCLEOTIDES COMPRISING UNNATURAL NUCLEOTIDES THE SCRIPPS RESEARCH INSTITUTE (US) 2022-04-28 WO disclosed
WO-2020252262-A1 REAGENTS AND METHODS FOR REPLICATION, TRANSCRIPTION, AND TRANSLATION IN SEMI-SYNTHETIC ORGANISMS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-17 WO disclosed
WO-2019014262-A1 INCORPORATION OF UNNATURAL NUCLEOTIDES AND METHODS OF USE IN VIVO THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-17 WO disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-2189449-A1 AMINOPYRAZOLE AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-05-26 EP disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-4981856-A QUINAZOLINE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-01 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 GRM4 4172/4885ALDH1A1 2563/4885SMN1; SMN2 3740/4885

“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.