SCHEMBL4923675

SCHEMBL4923675

Cc1ccc(N(C(=O)O)C(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
MAPT P10636 1/20 0.40
HDAC6 Q9UBN7 2/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
HCAR3 P49019 2/20 0.34
NPC1 O15118 4/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.33
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLAU P00749 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL29034266 0.81 GBA1 (0.46) RAB9AMAPTHCAR3NPC1KDM4E
SCHEMBL15575141 0.81 HCAR3 (0.33) RAB9AHCAR3KDM4EADRA2AADRA2B
SCHEMBL3514121 0.79 HCAR3 (0.35) HCAR3KDM4EALDH1A1MEN1KMT2A
SCHEMBL23630653 0.79 CYP2C9 (0.37) RAB9AMAPTHCAR3NPC1KDM4E
SCHEMBL3513125 0.79 AOC3 (0.37) RAB9AMAPTHCAR3NPC1PKM
SCHEMBL2637165 0.78 RAB9A (0.44) RAB9AMAPTHDAC6CCR1CCR5
SCHEMBL15378607 0.78 FGFR4 (0.36) HCAR3
SCHEMBL3782597 0.78 AOC3 (0.36) MAPTHCAR3PKMKDM4EALDH1A1
SCHEMBL480491 0.78 AOC3 (0.39) MAPTHCAR3PKMKDM4EALDH1A1
SCHEMBL2215212 0.78 AOC3 (0.36) RAB9AMAPTHCAR3NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710232-B2 Imidazole derivatives used as TAFIa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-04-29 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-07 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B RAB9A 2258/4885MAPT 2378/4885HDAC6 2236/4885
US-20070129341-A1 IMIDAZOLE DERIVATIVES USED AS TAFIA INHIBITORS TFPI, TFPI2, SERPINC1 RAB9A 2628/4885MAPT 3445/4885HDAC6 490/4885

“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.