SCHEMBL25929355

SCHEMBL25929355

CCOc1ccc(C)nc1NC(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KCNB1 Q14721 7/20 0.43
KCNA5 P22460 3/20 0.42
KCNH2 Q12809 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
PRKD3 O94806 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNK2 O95069 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL25954767 0.84 KCNB1 (0.43) TSHRKCNB1KCNA5KCNH2L3MBTL1
SCHEMBL20328992 0.80 TSHR (0.43) TSHRTP53KDM4EKMT2AALDH1A1
SCHEMBL20328993 0.77 ALDH1A1 (0.45) TSHRTP53L3MBTL1KDM4EKMT2A
SCHEMBL20328988 0.75 SMN1; SMN2 (0.43) TSHRKDM4EKMT2AALDH1A1HPGD
SCHEMBL20328990 0.74 TSHR (0.46) TSHRKDM4EKMT2AALDH1A1HPGD
SCHEMBL20328989 0.74 ALDH1A1 (0.51) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL13596173 0.70 KMT2A (0.78) TSHRL3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL19915961 0.70 S1PR4 (0.61) TP53KDM4EKMT2AALDH1A1GRM5
SCHEMBL20328991 0.70 MAPT (0.39) TSHRKDM4EALDH1A1HPGDMAPT
SCHEMBL26816546 0.70 EPHX1 (0.61) TSHRL3MBTL1KDM4EKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TSHR 1662/4885KCNB1 1919/4885KCNA5 2067/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TSHR 1662/4885KCNB1 1919/4885KCNA5 2067/4885

“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.