SCHEMBL9975504

SCHEMBL9975504

Cc1onc(CO)c1-c1ccccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
BRD4 O60885 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSP90AB1 P08238 1/20 0.35
BRD2 P25440 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
AR P10275 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34

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
SCHEMBL9973963 0.87 PTGS1 (0.38) ESR2PTGS1PTGS2BRD4LMNA
SCHEMBL18812499 0.80 BRD4 (0.51) ESR2PTGS1PTGS2BRD4LMNA
SCHEMBL27944218 0.79 PDCD1 (0.41) PTGS1PTGS2BRD4LMNATSHR
SCHEMBL28064533 0.79 BRD4 (0.39) PTGS1PTGS2BRD4ALDH1A1SMN1; SMN2
SCHEMBL10472465 0.78 L3MBTL1 (0.42) ESR2PTGS1PTGS2BRD4LMNA
SCHEMBL9282940 0.77 PTGS2 (0.40) PTGS2BRD4LMNAALDH1A1SMN1; SMN2
SCHEMBL27944216 0.77 RAB9A (0.44) LMNAALDH1A1SMN1; SMN2NPSR1NPC1
SCHEMBL27924771 0.75 ALDH1A1 (0.38) PTGS1PTGS2BRD4LMNATSHR
SCHEMBL9277637 0.74 ERN1 (0.41) PTGS1PTGS2BRD4LMNATSHR
SCHEMBL27685077 0.70 SMN1; SMN2 (0.43) PTGS1PTGS2BRD4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-21 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-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT ESR2 2078/4885PTGS1 2282/4885PTGS2 2446/4885

“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.