SCHEMBL16396741

SCHEMBL16396741

O=C(O)Cc1ccccc1OCc1cc(Cl)cc(/C=C/c2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 9/20 0.46
▸ TPSB2 P20231 5/20 0.46
▸ F11 P03951 4/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ F7 P08709 1/20 0.46
▸ CYP17A1 P05093 1/20 0.42
▸ CYP21A2 P08686 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ ABCB1 P08183 1/20 0.42
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ FABP4 P15090 1/20 0.41
▸ FABP5 Q01469 1/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ SLC1A5 Q15758 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
SCHEMBL16396742 1.00 CFD (0.46) CFDTPSB2F11PLGPLAU
SCHEMBL16410260 0.86 CYP17A1 (0.43) CYP17A1CYP21A2CYP11B1ABCB1PTGER1
SCHEMBL17764329 0.80 CFD (0.42) CFDTPSB2F11PLGPLAU
SCHEMBL17764328 0.80 CFD (0.42) CFDTPSB2F11PLGPLAU
SCHEMBL16396994 0.77 CFD (0.57) CFDTPSB2F11PLGPLAU
SCHEMBL16397478 0.75 CFD (0.43) CFDTPSB2F11PLGPLAU
SCHEMBL17764330 0.75 CFD (0.43) CFDTPSB2F11PLGPLAU
SCHEMBL16397479 0.75 CFD (0.43) CFDTPSB2F11PLGPLAU
SCHEMBL17764403 0.74 MRGPRX4 (0.51) CFDTPSB2F11PLGPLAU
SCHEMBL17764282 0.73 CFD (0.49) CFDTPSB2F11PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
EP-3022182-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF Novartis AG (CH) 2016-05-25 — — EP disclosed
WO-2015009977-A1 AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF NOVARTIS AG (CH) 2015-01-22 — — 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-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof CFD, CFH, CFB CFD 1/4885TPSB2 248/4885F11 17/4885

“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.

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