SCHEMBL3776997

SCHEMBL3776997

O=[N+]([O-])c1c(Cl)ccc2c1ccc1ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.56
TSHR P16473 2/20 0.53
CYP3A4 P08684 2/20 0.50
S100A4 P26447 2/20 0.49
ALDH1A1 P00352 4/20 0.46
CYP2A6 P11509 3/20 0.46
PAX8 Q06710 2/20 0.46
HNF4A P41235 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL3697120 1.00 HPRT1 (0.56) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL3699674 0.91 TSHR (0.62) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL9422167 0.83 ALDH1A1 (0.50) TSHRCYP3A4S100A4ALDH1A1MAPT
SCHEMBL31162591 0.81 HPRT1 (0.67) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL28331998 0.81 HPRT1 (0.67) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL3707683 0.79 CYP3A4 (0.59) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL3782714 0.78 CYP3A4 (0.58) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL3704204 0.78 CYP3A4 (0.58) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL15900491 0.77 CYP3A4 (0.72) HPRT1TSHRCYP3A4S100A4ALDH1A1
SCHEMBL31677789 0.77 CYP3A4 (0.72) HPRT1TSHRCYP3A4S100A4ALDH1A1

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
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 HPRT1 1619/4885TSHR 1160/4885CYP3A4 219/4885

“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.