SCHEMBL17764307

SCHEMBL17764307

NCc1cc(F)cc(-c2cc(NC[C@@H]3CCCO3)cc(C(=O)Nc3ccccc3CC(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 8/20 0.49
▸ SUCNR1 Q9BXA5 3/20 0.49
▸ F11 P03951 2/20 0.49
▸ TPSB2 P20231 1/20 0.49
▸ ATM Q13315 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL17764531 1.00 CFD (0.49) CFDSUCNR1F11TPSB2ATM
SCHEMBL16410291 1.00 CFD (0.49) CFDSUCNR1F11TPSB2ATM
SCHEMBL16410339 0.90 CFD (0.43) CFDSUCNR1F11TPSB2ATM
SCHEMBL16410456 0.90 SMN1; SMN2 (0.38) CFDSUCNR1F11TPSB2ATM
SCHEMBL17764457 0.88 CFD (0.50) CFDSUCNR1F11TPSB2
SCHEMBL16410334 0.86 CFD (0.49) CFDSUCNR1F11TPSB2
SCHEMBL16409571 0.85 CFD (0.48) CFDSUCNR1F11TPSB2RAB9A
SCHEMBL16410450 0.85 CFD (0.48) CFDSUCNR1F11TPSB2RAB9A
SCHEMBL16410414 0.83 CFD (0.52) CFDSUCNR1F11TPSB2
SCHEMBL16397471 0.81 CFD (0.43) CFDSUCNR1F11TPSB2ALDH1A1

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
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

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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