SCHEMBL16396533

SCHEMBL16396533

COC(=O)Cc1ccccc1NC(=O)c1ccc(OC)c(-c2cccc(CN)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.76
▸ SUCNR1 Q9BXA5 5/20 0.59
▸ F11 P03951 2/20 0.59
▸ TPSB2 P20231 1/20 0.59
▸ ROCK2 O75116 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ HSP90AB1 P08238 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL16397756 0.92 CFD (0.71) CFDSUCNR1F11TPSB2
SCHEMBL16396513 0.88 CFD (0.61) CFDSUCNR1F11TPSB2ROCK2
SCHEMBL16396465 0.87 CFD (1.00) CFDSUCNR1F11TPSB2ROCK2
SCHEMBL16396385 0.81 CFD (0.76) CFDSUCNR1F11TPSB2ROCK2
SCHEMBL16410278 0.80 SUCNR1 (0.56) CFDSUCNR1F11TPSB2ALDH1A1
SCHEMBL23616910 0.78 CFD (0.61) CFDSUCNR1F11TPSB2ROCK2
SCHEMBL26263428 0.76 CFD (0.81) CFDSUCNR1F11TPSB2
SCHEMBL21437787 0.76 CFD (0.60) CFDSUCNR1F11TPSB2
SCHEMBL25880043 0.76 CFD (0.68) CFDSUCNR1F11TPSB2
SCHEMBL16397118 0.75 CFD (1.00) CFDSUCNR1F11TPSB2

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 6 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
US-20160145247-A1 Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof NOVARTIS AG (CH) 2016-05-26 — — US disclosed
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
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 1/4885SUCNR1 4670/4885F11 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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