SCHEMBL899473

SCHEMBL899473

COc1ccccc1Nc1nccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.57
MAPT P10636 8/20 0.57
GAA P10253 7/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 5/20 0.57
HTT P42858 2/20 0.57
TDP1 Q9NUW8 2/20 0.55
ALOX15 P16050 2/20 0.53
HSD17B10 Q99714 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 2/20 0.51
PKM P14618 2/20 0.51

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
SCHEMBL3635774 0.84 ALOX15 (0.58) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL1135241 0.81 ALDH1A1 (0.52) ALDH1A1HPGDRAB9ANPC1KMT2A
SCHEMBL9669039 0.80 ALDH1A1 (0.61) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL7692575 0.80 MEN1 (0.62) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL28204410 0.80 MEN1 (0.51) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL28716325 0.80 MAPT (0.66) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL3799776 0.79 KCNMA1 (0.60) ALDH1A1MAPTRAB9AKMT2ASMN1; SMN2
SCHEMBL9851135 0.78 TDP1 (0.59) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL31069449 0.75 ALDH1A1 (0.59) ALDH1A1GAARAB9ANPC1KMT2A
SCHEMBL11159476 0.75 ALDH1A1 (0.59) ALDH1A1MAPTGAAHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 ALDH1A1 838/4885MAPT 787/4885GAA 1420/4885

“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.