SCHEMBL16099072

SCHEMBL16099072

CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
MAPT P10636 6/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GAA P10253 1/20 0.52
PKM P14618 1/20 0.50
RECQL P46063 2/20 0.49
SETD7 Q8WTS6 1/20 0.49
PRMT1 Q99873 1/20 0.49
PSMD14 O00487 1/20 0.49
POLB P06746 1/20 0.49
CACNA1B Q00975 1/20 0.49

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
SCHEMBL16098445 0.83 ALDH1A1 (0.60) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL16129614 0.83 MEN1 (0.54) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL16100709 0.82 WNT3A (0.59) ALDH1A1CYP3A4KMT2AMEN1NPC1
SCHEMBL17539212 0.80 ALDH1A1 (0.65) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL16098795 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL6814247 0.80 MEN1 (0.70) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL16129652 0.79 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1KMT2A
SCHEMBL1014825 0.78 CASP6 (0.57) TSHRPOLBLMNA
SCHEMBL1017247 0.77 ALB (0.56) KMT2AMEN1MAPTMAPK1GAA
SCHEMBL16129679 0.77 HTT (0.52) ALDH1A1KMT2AMEN1MAPTNPC1

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-20160052898-A1 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
EP-2976343-A2 SUBSTITUTED N-BIPHENYL-3-ACETYLAMINO-BENZAMIDES AND N-[3-(ACETYLAMINO)PHENYL]-BIPHENYL-CARBOXAMIDES AND THEIR USE AS INHIBITORS OF THE WNT SIGNALLING PATHWAY Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO disclosed
WO-2014147182-A2 NOVEL COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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-20160052898-A1 NOVEL COMPOUNDS AADAC, NAT1, CCNA1 ALDH1A1 325/4885CYP3A4 1384/4885TSHR 3456/4885

“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.