SCHEMBL951028

SCHEMBL951028

N#Cc1cc(F)cc(NCc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.45
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
PDE5A O76074 3/20 0.43
ALDH1A1 P00352 3/20 0.43
PKM P14618 2/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
INSR P06213 1/20 0.40
IGF1R P08069 1/20 0.40
SRC P12931 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL950182 0.82 ALDH1A1 (0.61) VNN1GAAPDE5AALDH1A1PKM
SCHEMBL953061 0.78 ALDH1A1 (0.46) VNN1GAAHPGDPDE5AALDH1A1
SCHEMBL956024 0.78 PDE5A (0.48) VNN1GAAHPGDPDE5AALDH1A1
SCHEMBL501904 0.73 MAPT (0.49) VNN1GAAPDE5AALDH1A1RAB9A
SCHEMBL951853 0.72 KMT2A (0.44) VNN1GAAHPGDPDE5AALDH1A1
SCHEMBL933889 0.71 PTGS2 (0.43) VNN1
SCHEMBL1040521 0.69 PKM (0.59) ALDH1A1PKMRAB9ASMN1; SMN2LMNA
SCHEMBL6482315 0.69 GAA (0.49) GAAHPGDALDH1A1PKMRAB9A
SCHEMBL950409 0.68 KIT (0.39) HPGDPDE5AALDH1A1MAPTKMT2A
SCHEMBL1253621 0.68 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2LMNAKMT2A

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 VNN1 1674/4885GAA 175/4885HPGD 392/4885

“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.