SCHEMBL5447296

SCHEMBL5447296

COC(C)=C(C#N)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
ESR1 P03372 1/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPC1 O15118 4/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
DHODH Q02127 1/20 0.36

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
SCHEMBL5447294 1.00 MEN1 (0.44) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL5444465 0.81 MEN1 (0.41) MEN1KMT2AALDH1A1RAB9AMAPT
SCHEMBL2767938 0.79 THRB (0.50) MEN1KMT2AALDH1A1ESR1RAB9A
SCHEMBL14194446 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1ESR1RAB9A
SCHEMBL8544848 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1ESR1RAB9A
SCHEMBL8544845 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1ESR1RAB9A
SCHEMBL1898420 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL79975 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL6418982 0.78 KMT2A (0.52) MEN1KMT2AALDH1A1TSHRESR1
SCHEMBL28794919 0.77 ALDH1A1 (0.53) MEN1KMT2AALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191395-A1 Heterocyclic compounds having antifungal activity DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1717238-A1 FUNGICIDAL HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20070191395-A1 Heterocyclic compounds having antifungal activity ERG28, MANBA, MAN2B1 MEN1 1182/4885KMT2A 3653/4885ALDH1A1 1357/4885

“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.