SCHEMBL933571

SCHEMBL933571

CCC(=O)N(Cc1cccc(-c2c(C)noc2C)c1)c1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.46
FFAR1 O14842 6/20 0.45
BRD4 O60885 5/20 0.43
BRD2 P25440 3/20 0.43
CREBBP Q92793 3/20 0.43
NR3C2 P08235 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL934437 0.91 HDAC1 (0.47) PTGDR2FFAR1BRD4BRD2CREBBP
SCHEMBL933913 0.89 PTGDR2 (0.43) PTGDR2FFAR1BRD4BRD2CREBBP
SCHEMBL934534 0.82 PTGDR2 (0.52) PTGDR2
SCHEMBL934199 0.81 PTGDR2 (0.56) PTGDR2
SCHEMBL934124 0.80 PTGDR2 (0.46) PTGDR2
SCHEMBL951203 0.80 PTGDR2 (0.52) PTGDR2FFAR1BRD4BRD2CREBBP
SCHEMBL2681202 0.79 PTGDR2 (0.46) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL934130 0.79 PTGDR2 (0.43) PTGDR2HDAC1HDAC8HDAC6
SCHEMBL933907 0.79 PTGDR2 (0.41) PTGDR2NR3C2HDAC1HDAC8HDAC6
SCHEMBL933413 0.79 ALDH1A1 (0.50) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 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 (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-20120115869-A1 TETRAZOLE DERIVATIVES TSLP, IL5, CMA1 PTGDR2 548/4885FFAR1 924/4885BRD4 2544/4885

“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.