SCHEMBL9973963

SCHEMBL9973963

CCc1noc(C)c1-c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
BRD4 O60885 3/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
BRD2 P25440 2/20 0.37
BRD3 Q15059 1/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.36
DCTPP1 Q9H773 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESR2 Q92731 1/20 0.35
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 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
SCHEMBL9975504 0.87 ESR2 (0.41) PTGS1PTGS2BRD4ALDH1A1LMNA
SCHEMBL18812499 0.81 BRD4 (0.51) PTGS1PTGS2BRD4ALDH1A1LMNA
SCHEMBL13263176 0.80 HEXA (0.50) PTGS1PTGS2BRD4ALDH1A1LMNA
SCHEMBL16746000 0.77 HEXA (0.41) PTGS1PTGS2BRD4ALDH1A1BRD2
SCHEMBL10472465 0.77 L3MBTL1 (0.42) PTGS1PTGS2BRD4ALDH1A1LMNA
SCHEMBL9282940 0.76 PTGS2 (0.40) PTGS2BRD4ALDH1A1LMNATDP1
SCHEMBL9973964 0.73 ERN1 (0.39) PTGS1PTGS2BRD4ALDH1A1LMNA
SCHEMBL12694208 0.68 LMNA (0.40) PTGS1PTGS2ALDH1A1LMNAKDM4E
SCHEMBL12543642 0.67 HSD17B10 (0.50) ALDH1A1LMNATSHRHSD17B10NPC1
SCHEMBL1132593 0.67 TSHR (0.61) ALDH1A1LMNAKDM4ETSHRESR2

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-9522920-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-12-18 US disclosed
US-8796261-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
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 (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-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT PTGS1 2282/4885PTGS2 2446/4885BRD4 1/4885
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT PTGS1 2282/4885PTGS2 2446/4885BRD4 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.