SCHEMBL4409064

SCHEMBL4409064

Nc1ccc(-c2nc(-c3ccccc3)c(C(F)(F)F)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.54
CHKA P35790 5/20 0.52
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HSD17B10 Q99714 2/20 0.50
GLA P06280 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MITF O75030 1/20 0.49
ATM Q13315 2/20 0.46
TSHR P16473 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL26604323 0.91 SMO (0.57) SMOCHKARAB9ANPC1KDM4E
SCHEMBL4260045 0.87 CHKA (0.51) SMOCHKARAB9ANPC1
SCHEMBL28664345 0.86 SMO (0.55) SMOCHKANPC1MEN1KMT2A
SCHEMBL28673270 0.85 SMO (0.54) SMOCHKARAB9ANPC1ALDH1A1
SCHEMBL28669024 0.85 SMO (0.54) SMOCHKARAB9ANPC1ALDH1A1
SCHEMBL28654073 0.81 SMO (0.51) SMOCHKAKMT2AKDM4EALDH1A1
SCHEMBL28676292 0.81 ALDH1A1 (0.55) SMOCHKARAB9ANPC1MEN1
SCHEMBL28664350 0.81 SMO (0.51) SMOCHKAKDM4EALDH1A1HPGD
SCHEMBL28676294 0.81 SMO (0.47) SMOCHKARAB9ANPC1KDM4E
SCHEMBL4267136 0.79 MMP2 (0.52) SMOCHKARAB9ANPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404722-B2 Oxazole compounds compositions and methods of use AMGEN INC. (US) 2013-03-26 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
US-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2011-03-10 US disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 WO disclosed
WO-2009151495-A2 OXAZOLE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AMGEN INC. (US) 2009-12-17 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-20110060011-A1 OXAZOLE COMPOUNDS COMPOSITIONS AND METHODS OF USE OXA1L, CYP11B2, CYP3A7 SMO 1063/4885CHKA 2109/4885RAB9A 4455/4885

“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.