SCHEMBL16403611

SCHEMBL16403611

Cn1nc(C2CC2)cc1Nc1cc(C(=O)Nc2ccccc2CC(=O)O)cc(-c2cc(F)cc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 7/20 0.45
▸ HDAC1 Q13547 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ NTRK1 P04629 2/20 0.35
▸ CFD P00746 2/20 0.35
▸ F11 P03951 1/20 0.35
▸ TPSB2 P20231 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ ACACB O00763 2/20 0.33
▸ ACACA Q13085 2/20 0.33
▸ KCNJ6 P48051 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 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
SCHEMBL16410327 0.95 SUCNR1 (0.39) SUCNR1HDAC1JAK2JAK1NTRK1
SCHEMBL16403605 0.87 CFD (0.46) SUCNR1JAK2JAK1CFDF11
SCHEMBL17764462 0.85 SUCNR1 (0.48) SUCNR1HDAC1CFDF11TPSB2
SCHEMBL16410368 0.80 HDAC1 (0.44) SUCNR1HDAC1JAK2JAK1NTRK1
SCHEMBL16397314 0.79 SUCNR1 (0.49) SUCNR1HDAC1CFDF11TPSB2
SCHEMBL16396992 0.79 SUCNR1 (0.60) SUCNR1HDAC1CFDF11TPSB2
SCHEMBL16396204 0.77 SUCNR1 (0.46) SUCNR1HDAC1CFDF11TPSB2
SCHEMBL16397193 0.76 SUCNR1 (0.47) SUCNR1HDAC1CFDF11TPSB2
SCHEMBL16410154 0.76 SUCNR1 (0.49) SUCNR1CFDF11TPSB2
SCHEMBL16396862 0.76 SUCNR1 (0.49) SUCNR1HDAC1CFDF11TPSB2

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 SUCNR1 4670/4885HDAC1 3377/4885JAK2 4308/4885

“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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