SCHEMBL2684149

SCHEMBL2684149

CCOC(=O)c1cc(OCc2ccccc2)c(F)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.47
PPIA P62937 1/20 0.47
BRD4 O60885 1/20 0.46
MAOB P27338 1/20 0.46
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL11922623 0.88 NPC1 (0.49) ALDH1A1HSD17B10HTTBRD4TSHR
SCHEMBL582711 0.84 FOLH1 (0.51) ALDH1A1HTTBRD4NPC1MRGPRX4
SCHEMBL23796490 0.84 MEN1 (0.53) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL23796824 0.83 MEN1 (0.60) ALDH1A1MEN1HSP90AA1KMT2AHTT
SCHEMBL5064933 0.81 BRD4 (0.47) ALDH1A1KMT2AHTTBRD4NPC1
SCHEMBL13903543 0.81 ALDH1A1 (0.45) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL2682298 0.81 CTSV (0.49) ALDH1A1MEN1HSP90AA1KMT2APPIA
SCHEMBL20897407 0.80 HTT (0.55) ALDH1A1HSD17B10MEN1KMT2AHTT
SCHEMBL23796432 0.79 MEN1 (0.56) ALDH1A1MEN1HSP90AA1KMT2AHTT
SCHEMBL25289833 0.79 ALDH1A1 (0.53) ALDH1A1KMT2AHTTBRD4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-8722659-B2 Quinazolinedione derivatives, preparation thereof and various therapeutic uses thereof SANOFI (FR) 2014-05-13 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
US-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. SANOFI (FR) 2012-05-10 US disclosed
WO-2010116088-A2 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2010-10-14 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-20120115846-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND VARIOUS THERAPEUTIC USES THEREOF. CYP27B1, NDUFB3, MT-ND5 ALDH1A1 495/4885HSD17B10 438/4885MEN1 1747/4885

“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.