SCHEMBL14946972

SCHEMBL14946972

O=C(Oc1ccc([N+](=O)[O-])cc1)n1cnc(-c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
NR3C1 P04150 1/20 0.45
FAAH O00519 1/20 0.44
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
PTGES O14684 2/20 0.42
TAS2R14 Q9NYV8 2/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
CXCR3 P49682 1/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL14946931 0.91 PTGES (0.48) KMT2AMEN1PTPN1MAPTLMNA
SCHEMBL14950285 0.88 CNR2 (0.54) PTPN1LMNAPTGESTAS2R14TAS2R8
SCHEMBL14946928 0.83 SMN1; SMN2 (0.48) ALDH1A1FAAHSMN1; SMN2MAPTLMNA
SCHEMBL14946949 0.83 MAPT (0.53) ALDH1A1FAAHSMN1; SMN2MAPT
SCHEMBL14946948 0.81 SMN1; SMN2 (0.47) ALDH1A1TDP1FAAHSMN1; SMN2MAPT
SCHEMBL525802 0.74 MAPT (0.54) KMT2AALDH1A1MEN1SMN1; SMN2MAPT
SCHEMBL14946878 0.73 KEAP1 (0.48) KMT2AMAPK1ALDH1A1TDP1MEN1
SCHEMBL14946903 0.73 PTGS2 (0.42) KMT2AALDH1A1FAAHMEN1
SCHEMBL14946884 0.73 MCL1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL14938309 0.72 CNR2 (0.47) KMT2AALDH1A1FAAHMEN1SMN1; SMN2

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-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2013-05-16 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-20130123493-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS UTS2R, ARG1, PRMT1 KMT2A 632/4885MAPK1 2811/4885ALDH1A1 3556/4885

“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.