SCHEMBL956024

SCHEMBL956024

N#Cc1ccc(F)c(NCc2ccc3c(c2)OCCO3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.48
VNN1 O95497 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AURKA O14965 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
SCHEMBL951853 0.82 KMT2A (0.44) PDE5AVNN1MEN1KMT2AHPGD
SCHEMBL953061 0.82 ALDH1A1 (0.46) PDE5AVNN1MEN1KMT2AHPGD
SCHEMBL951028 0.78 VNN1 (0.45) PDE5AVNN1MEN1KMT2AHPGD
SCHEMBL950182 0.77 ALDH1A1 (0.61) PDE5AVNN1ALDH1A1PKMMAPT
SCHEMBL943860 0.72 PKM (0.54) VNN1ALDH1A1PKMMAPTGSK3A
SCHEMBL6943191 0.71 TSHR (0.59) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL27707495 0.69 ADORA2A (0.40) VNN1MEN1KMT2A
SCHEMBL16199534 0.68 MAPT (0.53) KMT2ACRHBPCRHR2ALDH1A1PKM
SCHEMBL1253621 0.68 ALDH1A1 (0.51) MEN1KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL950049 0.68 PTGDR2 (0.61) VNN1MEN1KMT2AALDH1A1PKM

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 PDE5A 975/4885VNN1 1674/4885MEN1 2816/4885

“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.