SCHEMBL7051493

SCHEMBL7051493

O=C(Cl)N(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TSHR P16473 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
NR3C2 P08235 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
BCL2A1 Q16548 1/20 0.37
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
APP P05067 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNN4 O15554 1/20 0.35
PTPN1 P18031 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 1/20 0.35

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
SCHEMBL1118841 0.92 NPSR1 (0.50) S100A4ESR1ESR2NR3C2PTGIR
SCHEMBL9960174 0.82 GAA (0.43) CES2CES1CA1CA2APP
SCHEMBL9834275 0.79 CES2 (0.41) S100A4CES2CES1ESR1ESR2
SCHEMBL11870667 0.78 CES2 (0.44) CES2CES1TSHRCA1CA2
SCHEMBL11872550 0.78 ESR1 (0.43) ESR1ESR2CA1CA2APP
SCHEMBL20560685 0.77 CES2 (0.39) S100A4CES2CES1ESR1ESR2
SCHEMBL11703895 0.77 TSHR (0.37) S100A4ESR1ESR2TSHRNR3C2
SCHEMBL31009210 0.77 POLQ (0.45) S100A4CES2CES1CA1CA2
SCHEMBL16026954 0.76 ALDH1A1 (0.44) CES2CES1TSHRNPSR1ALDH1A1
SCHEMBL28091134 0.76 CES2 (0.42) CES2CES1CA1CA2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed
EP-1042277-B1 NAPHTHALENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2003-04-23 EP disclosed
US-6303649-B1 FOR THERAPY AND PROPHYLAXIS OF ARTERIAL OBSTRUCTION, CEREBROVASCULAR DISEASE, HEPATIC CIRRHOSIS, ARTERIOSCLEROSIS, ISCHEMIC HEART DISEASE, RESTENOSIS, ISCHEMIC COMPLICATIONS AFTER CORONARY ANGIOPLASTY, HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-16 US disclosed
US-4782071-A Tetrasubstituted urea cholinergic agents WARNER-LAMBERT COMPANY (US) 1988-11-01 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-20210054007-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF TACR1, TACR2, GPBAR1 S100A4 4028/4885CES2 2077/4885CES1 969/4885

“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.