SCHEMBL624686

SCHEMBL624686

N#C/C=C1\CCOc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
NPY5R Q15761 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
NOTUM Q6P988 1/20 0.35
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOB P27338 4/20 0.34
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 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
SCHEMBL624687 1.00 MEN1 (0.40) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL29960518 1.00 MEN1 (0.40) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL31028049 0.78 LMNA (0.40) LMNAHTTMAOBDYRK1ADYRK2
SCHEMBL31028101 0.78 PIK3CA (0.38) KMT2ALMNASMN1; SMN2HTTALDH1A1
SCHEMBL31595636 0.78 FABP6 (0.43) NPY5RNOTUMSMN1; SMN2ALDH1A1ESR1
SCHEMBL7160349 0.77 NOTUM (0.44) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL7160356 0.77 NOTUM (0.44) MEN1KMT2AITGB2ICAM1ITGAL
SCHEMBL2963326 0.75 HTR6 (0.42) SMN1; SMN2PKMTSHRALDH1A1GRM5
SCHEMBL2963328 0.75 HTR6 (0.42) SMN1; SMN2PKMTSHRALDH1A1GRM5
SCHEMBL31028081 0.74 NPC1 (0.34) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 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-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 MEN1 4188/4885KMT2A 4568/4885ITGB2 3425/4885

“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.