SCHEMBL17264663

SCHEMBL17264663

CC(=O)COc1cc(Cl)cc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
HPGD P15428 2/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
GPR35 Q9HC97 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL14620925 0.89 ALDH1A1 (0.44) KCNH2HPGDMAPTALDH1A1CYP1A2
SCHEMBL8149163 0.83 MAPT (0.46) HPGDMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL15778741 0.82 GAA (0.47) KCNH2HPGDMAPTALDH1A1CYP1A2
SCHEMBL13119736 0.82 HPGD (0.46) KCNH2HPGDCYP2C9CYP3A4PTGDR2
SCHEMBL3611237 0.82 KCNH2 (0.45) KCNH2HPGDMAPTCYP2C9CYP3A4
SCHEMBL13119733 0.78 KCNH2 (0.43) KCNH2HPGDMAPTCYP2C9CYP2C19
SCHEMBL3372818 0.76 MAPT (0.62) HPGDMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL16661979 0.76 SMN1; SMN2 (0.54)
SCHEMBL508238 0.75 KCNH2 (0.39) KCNH2MAPTALDH1A1CYP3A4GPR35
SCHEMBL12128097 0.74 KCNH2 (0.43) KCNH2MAPTALDH1A1CYP3A4

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-9663490-B2 Process for making reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9598397-B2 Process for making reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-21 US disclosed
US-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20150329521-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 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 (2 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-20160297794-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, TYMS KCNH2 4562/4885HPGD 805/4885MAPT 1977/4885
US-20150329521-A1 PROCESS FOR MAKING REVERSE TRANSCRIPTASE INHIBITORS POLRMT, POLR2E, TYMS KCNH2 4548/4885HPGD 785/4885MAPT 1956/4885

“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.