SCHEMBL9282940

SCHEMBL9282940

COc1ccc(COCc2noc(C)c2-c2ccccc2C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR1 O14842 1/20 0.35
AKR1B1 P15121 1/20 0.35
GHSR Q92847 2/20 0.35
CNR1 P21554 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 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
SCHEMBL9279329 0.80 LMNA (0.38) PTGS2LMNAALDH1A1SMN1; SMN2GHSR
SCHEMBL9279048 0.78 SMN1; SMN2 (0.43) PTGS2LMNAALDH1A1MAPTALOX15
SCHEMBL9975504 0.77 ESR2 (0.41) PTGS2LMNAALDH1A1SMN1; SMN2BRD4
SCHEMBL9973963 0.76 PTGS1 (0.38) PTGS2LMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL9280996 0.74 KMT2A (0.43) POLBLMNAALDH1A1MAPTALOX15
SCHEMBL10472465 0.73 L3MBTL1 (0.42) PTGS2POLBGAALMNAALDH1A1
SCHEMBL18812499 0.70 BRD4 (0.51) PTGS2LMNAALDH1A1ALOX15SMN1; SMN2
SCHEMBL6957048 0.70 FFAR1 (0.55) POLBGAAEGLN1ALDH1A1MAPT
SCHEMBL6954290 0.68 TDP1 (0.57) POLBGAAEGLN1FFAR1AKR1B1
SCHEMBL6955727 0.68 L3MBTL1 (0.63) POLBGAAEGLN1FFAR1AKR1B1

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 9 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
EP-2646446-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2015-05-13 EP disclosed
EP-2646446-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2015-05-13 EP 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
EP-2646446-A2 BROMODOMAIN INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2013-10-09 EP disclosed
US-20120157428-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
WO-2012075383-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-07 WO disclosed
WO-2012075383-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-06-07 WO 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 PTGS2 2446/4885POLB 588/4885GAA 1034/4885
US-20140371206-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT PTGS2 2446/4885POLB 588/4885GAA 1034/4885

“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.