SCHEMBL3216438

SCHEMBL3216438

Fc1ccc2[nH]c(C3CC3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DAO P14920 1/20 0.46
MLLT1 Q03111 1/20 0.46
FLT3 P36888 3/20 0.41
MAPT P10636 1/20 0.41
AHR P35869 1/20 0.41
CYP1A1 P04798 2/20 0.41
HRH4 Q9H3N8 1/20 0.39
VCP P55072 2/20 0.38
PTGS1 P23219 1/20 0.38

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
Bromide SCHEMBL7870782 0.85 HRH4 (0.50) HRH4VCP
SCHEMBL14845700 0.78 LOXL2 (0.47) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1465598 0.78 CYP2A6 (0.52) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL73543 0.75 AOC3 (0.47) KDM4EALDH1A1HPGDHSD17B10DAO
SCHEMBL12826974 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL16382920 0.74 NHERF1 (0.35) KDM4EALDH1A1LMNAHPGDMAPT
SCHEMBL13334409 0.74 KIF11 (0.40) ALDH1A1HPGDHSD17B10TDP1HRH4
SCHEMBL1429949 0.74 AXL (0.57) KDM4EALDH1A1LMNAHPGDTSHR
SCHEMBL14838928 0.74 MLLT1 (0.40) KDM4EPDPK1ALDH1A1LMNAHPGD
SCHEMBL24107951 0.74 CYP1A1 (0.55) KDM4EPDPK1ALDH1A1LMNAHPGD

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
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 EP disclosed
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
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN 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 KDM4E 2494/4885PDPK1 441/4885ALDH1A1 298/4885

“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.