SCHEMBL1807830

SCHEMBL1807830

Nc1nc(-c2n[nH]c3ccccc23)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
KDM4E B2RXH2 6/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 3/20 0.55
ALOX15 P16050 2/20 0.55
HSD17B10 Q99714 2/20 0.55
THRB P10828 1/20 0.55
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
LRRK2 Q5S007 2/20 0.53
IDO1 P14902 3/20 0.51
GAA P10253 2/20 0.51
ALPL P05186 1/20 0.51
HPGD P15428 1/20 0.51
TTK P33981 1/20 0.51
MAPK10 P53779 1/20 0.51
CYP3A4 P08684 2/20 0.50

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
SCHEMBL5313793 0.77 KDM4A (0.42) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL4245215 0.77 ROCK1 (0.57) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL1672674 0.74 IDO1 (0.78) ALDH1A1KDM4ERAB9ALRRK2IDO1
SCHEMBL5772080 0.74 KDM4E (0.60) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL2870463 0.73 LRRK2 (0.59) ALDH1A1KDM4ELRRK2IDO1GAA
SCHEMBL18038340 0.72 LRRK2 (0.54) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL21658872 0.72 KDM4E (0.53) ALDH1A1KDM4ERAB9ALRRK2IDO1
SCHEMBL11772208 0.72 LRRK2 (0.58) ALDH1A1KDM4ERAB9ASMN1; SMN2LRRK2
SCHEMBL1800635 0.71 MEN1 (1.00) ALDH1A1KDM4ERAB9ASMN1; SMN2MEN1
SCHEMBL4888531 0.71 LRRK2 (0.53) ALDH1A1KDM4ERAB9ALRRK2IDO1

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-7951814-B2 Quinazolinedione derivatives as TRPA1 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-05-31 US disclosed
WO-2010004390-A1 QUINAZOLINE DIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-01-14 WO disclosed
US-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-12-31 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 (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-20090325987-A1 QUINAZOLINEDIONE DERIVATIVES AS TRPA1 MODULATORS TRPA1, TRPV1, TRPC3 ALDH1A1 871/4885KDM4E 4660/4885RAB9A 2497/4885

“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.