SCHEMBL16396398

SCHEMBL16396398

CNc1sc(-c2cc(F)cc(CN)c2)nc1C(=O)Nc1cc(C)ccc1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 10/20 0.38
▸ F11 P03951 1/20 0.36
▸ TPSB2 P20231 1/20 0.36
▸ SUCNR1 Q9BXA5 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.36
▸ MAPT P10636 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16397134 0.90 CFD (0.49) CFDF11TPSB2SUCNR1MEN1
SCHEMBL16396593 0.78 CFD (0.53) CFDF11TPSB2SUCNR1
SCHEMBL16396929 0.78 CFD (0.49) CFDF11TPSB2SUCNR1KDM4E
SCHEMBL16396871 0.77 CFD (0.62) CFDF11TPSB2SUCNR1MEN1
SCHEMBL16410332 0.76 SUCNR1 (0.62) CFDF11TPSB2SUCNR1MEN1
SCHEMBL21439458 0.76 CFD (0.60) CFDF11TPSB2SUCNR1MAPT
SCHEMBL17764271 0.75 HDAC1 (0.37) SUCNR1MAPTMEN1KMT2ATP53
SCHEMBL17764316 0.75 SUCNR1 (0.41) CFDF11TPSB2SUCNR1MEN1
SCHEMBL16396778 0.75 CFD (0.47) CFDF11TPSB2SUCNR1
SCHEMBL16397473 0.73 CFD (0.43) CFDF11TPSB2SUCNR1KMT2A

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 1/4885F11 17/4885TPSB2 248/4885

“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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