SCHEMBL4251010

SCHEMBL4251010

O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.61
ALDH1A1 P00352 2/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PDE10A Q9Y233 1/20 0.49
POLB P06746 2/20 0.48
TP53 P04637 1/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CASP7 P55210 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL4246561 0.86 DHODH (0.55) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL6185429 0.86 ALDH1A1 (0.70) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL4252230 0.85 ALDH1A1 (0.69) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL6181595 0.84 ALDH1A1 (0.59) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL4251041 0.84 KDM4E (0.69) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL4248489 0.83 DHODH (0.64) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL4247643 0.83 ALDH1A1 (0.66) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL15905102 0.83 EPRS1 (0.64) DHODHALDH1A1GAA
SCHEMBL6184523 0.83 EIF4A1 (0.58) DHODHALDH1A1GAALMNASMN1; SMN2
SCHEMBL116029 0.83 DHODH (0.74) DHODHLMNASMN1; SMN2KDM4EPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 EP disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 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 (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-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 DHODH 3465/4885ALDH1A1 2677/4885GAA 3344/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 DHODH 3465/4885ALDH1A1 2677/4885GAA 3344/4885

“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.