SCHEMBL4095154

SCHEMBL4095154

COC(=NC#N)Nc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
MAPK10 P53779 1/20 0.42
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4095153 1.00 ALDH1A1 (0.44) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL4500748 0.80 FAAH (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4500750 0.80 FAAH (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL14257545 0.80 FAAH (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4104086 0.76 ALDH1A1 (0.43) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL4092695 0.76 ALDH1A1 (0.43) ALDH1A1MAOAMAOBMEN1KMT2A
SCHEMBL28964283 0.75 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL4896028 0.75 TP53 (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL14020631 0.75 TP53 (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL4896033 0.75 TP53 (0.41) ALDH1A1MEN1KMT2ARAB9AMAPT

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-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US disclosed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US 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 (2 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 ALDH1A1 2271/4885MAOA 1754/4885MAOB 1235/4885
US-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 ALDH1A1 1248/4885MAOA 1399/4885MAOB 623/4885

“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.