SCHEMBL950409

SCHEMBL950409

N#Cc1cc(Cl)cc(NCc2ccc3c(c2)OC(F)(F)O3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.39
BRAF P15056 5/20 0.39
PDE5A O76074 2/20 0.37
PDE2A O00408 1/20 0.35
SLC6A4 P31645 1/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ROCK2 O75116 1/20 0.35
NOS1 P29475 1/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
FAAH O00519 2/20 0.33
KDR P35968 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL934495 0.71 PPARA (0.46) PDE5AMAPTMEN1TSHRKMT2A
SCHEMBL8184134 0.70 CTNNB1 (0.42) PDE2ASLC6A4STIM1ORAI1ROCK2
SCHEMBL3669352 0.70 PDE2A (0.41) KITBRAFPDE2ASLC6A4ROCK2
SCHEMBL955018 0.69 PTGDR2 (0.35) SLC6A4FAAHHDAC6TDP1
SCHEMBL951028 0.68 VNN1 (0.45) PDE5AMAPTHPGDMEN1KMT2A
SCHEMBL5139262 0.68 TDP2 (0.44)
SCHEMBL351790 0.67 CTNNB1 (0.39) SLC6A4ROCK2FAAHTDP1
SCHEMBL24197437 0.67 CNR1 (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL350052 0.65 CTNNB1 (0.41) SLC6A4ROCK2NPSR1FAAH
SCHEMBL9838828 0.65 NOS2 (0.42) KITBRAFPDE2ASLC6A4ROCK2

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 6 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
US-20120115869-A1 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2012-05-10 US 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
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 KIT 69/4885BRAF 4533/4885PDE5A 975/4885

“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.