SCHEMBL16403612

SCHEMBL16403612

NCc1cc(F)cc(-c2cc(C(=O)Nc3ccccc3CC(=O)O)cc(N3CCOCC3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 11/20 0.53
▸ SUCNR1 Q9BXA5 5/20 0.53
▸ F11 P03951 2/20 0.53
▸ TPSB2 P20231 1/20 0.53
▸ DDR2 Q16832 1/20 0.45
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC7 Q8WUI4 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC11 Q96DB2 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ HDAC9 Q9UKV0 1/20 0.43
▸ HDAC5 Q9UQL6 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ BCL3 P20749 1/20 0.41
▸ PLAU P00749 1/20 0.41

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
SCHEMBL16396862 0.85 SUCNR1 (0.49) CFDSUCNR1F11TPSB2DDR2
SCHEMBL16396805 0.83 CFD (0.64) CFDSUCNR1F11TPSB2
SCHEMBL16396727 0.82 CFD (0.62) CFDSUCNR1F11TPSB2
SCHEMBL16410414 0.82 CFD (0.52) CFDSUCNR1F11TPSB2
SCHEMBL16410324 0.81 CFD (0.61) CFDSUCNR1F11TPSB2
SCHEMBL16410319 0.81 SUCNR1 (0.80) CFDSUCNR1F11TPSB2
SCHEMBL17764457 0.80 CFD (0.50) CFDSUCNR1F11TPSB2
SCHEMBL16396132 0.80 CFD (0.44) CFDSUCNR1F11TPSB2
SCHEMBL16397768 0.79 CFD (0.59) CFDSUCNR1F11TPSB2
SCHEMBL16410337 0.79 CFD (0.50) 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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