SCHEMBL19657229

SCHEMBL19657229

COc1ccc(C(=O)NC2CCOC2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.54
KMT2A Q03164 2/20 0.51
BRD4 O60885 1/20 0.49
NAMPT P43490 4/20 0.47
ABL1 P00519 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
HRH3 Q9Y5N1 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
KDM1A O60341 1/20 0.44
FASN P49327 1/20 0.44

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
SCHEMBL19657231 0.85 HPGDS (0.52) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL17758504 0.85 HPGDS (0.52) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL17758514 0.85 MAPK14 (0.56) HPGDSKMT2ATAS1R3TAS1R1HRH3
SCHEMBL12825175 0.84 HPGDS (0.53) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL13175758 0.84 HPGDS (0.53) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL13175969 0.84 HPGDS (0.53) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL17758478 0.83 KMT2A (0.56) KMT2ATAS1R3TAS1R1CYP2D6CYP2C9
SCHEMBL14093944 0.79 KMT2A (0.54) HPGDSKMT2ABRD4KDM1A
SCHEMBL15651273 0.78 KMT2A (0.49) HPGDSKMT2ABRD4NAMPTCYP2D6
SCHEMBL27962669 0.78 KMT2A (0.65) HPGDSKMT2APOLB

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
EP-3218375-B1 SUBSTITUTED PYRROLOPYRDINES AS INHIBITORS OF BROMODOMAIN GENENTECH INC (US) 2022-04-27 EP disclosed
US-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-20170340605-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRPF3 HPGDS 2228/4885KMT2A 126/4885BRD4 1/4885

“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.