SCHEMBL2197201

SCHEMBL2197201

O=C([O-])c1cncc(OCc2ccccc2)c1.[Na+]

nearest known ligand 0.59

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.59
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.54
GFER P55789 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SIRT2 Q8IXJ6 10/20 0.53
SIRT3 Q9NTG7 7/20 0.53
SIRT1 Q96EB6 6/20 0.53
NR4A2 P43354 2/20 0.52
MAOB P27338 1/20 0.50
PTPN1 P18031 1/20 0.49
NR4A1 P22736 1/20 0.49
NR4A3 Q92570 1/20 0.49
SMPD1 P17405 1/20 0.48
P4HTM Q9NXG6 1/20 0.48

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
SCHEMBL30822583 0.87 MEN1 (0.70) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL1201866 0.87 MEN1 (0.70) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL2197204 0.85 MEN1 (0.68) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL27189439 0.84 MEN1 (0.56) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL20819388 0.82 MEN1 (0.54) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL1202881 0.82 SIRT2 (0.59) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL19251587 0.81 SIRT2 (0.62) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL20103628 0.81 MEN1 (0.52) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL20103304 0.80 CYP2C9 (0.57) MEN1KMT2AHTTGFERHSD17B10
SCHEMBL8512404 0.79 MAOB (0.56) MEN1KMT2AMAOBP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R PTGER1 505/4885MEN1 4707/4885KMT2A 1156/4885

“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.