SCHEMBL3221518

SCHEMBL3221518

COC(=O)c1cnc(C(=O)c2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 9/20 0.47
NPC1 O15118 6/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45

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
SCHEMBL14782184 0.80 KDM4E (0.59) TSHRL3MBTL1MAPK1KDM4EALDH1A1
SCHEMBL3226688 0.80 SRD5A2 (0.56) TSHRL3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL14782142 0.79 MAPK1 (0.57) TSHRL3MBTL1MAPK1KDM4EALDH1A1
Benzophenone SCHEMBL27524744 0.79 TSHR (0.86) TSHRL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL2316603 0.79 TSHR (0.59) TSHRL3MBTL1MAPK1KDM4EALDH1A1
SCHEMBL695012 0.77 TSHR (0.83) TSHRL3MBTL1ALDH1A1RAB9ANPC1
Methyl Benzoate SCHEMBL1332323 0.77 TSHR (1.00) TSHRL3MBTL1ALDH1A1RAB9ANPC1
Methyl Benzoate SCHEMBL29831725 0.77 TSHR (1.00) TSHRL3MBTL1ALDH1A1RAB9ANPC1
Methyl Benzoate SCHEMBL1867855 0.77 TSHR (1.00) TSHRL3MBTL1ALDH1A1RAB9ANPC1
Methyl Benzoate SCHEMBL29105567 0.77 TSHR (1.00) TSHRL3MBTL1ALDH1A1RAB9ANPC1

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
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 TSHR 2120/4885L3MBTL1 3418/4885MAPK1 1886/4885

“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.