SCHEMBL16410368

SCHEMBL16410368

CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1cc(Nc2ccccc2)cc(-c2cc(F)cc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.44
▸ SUCNR1 Q9BXA5 4/20 0.43
▸ CFD P00746 3/20 0.40
▸ NAMPT P43490 2/20 0.39
▸ F11 P03951 1/20 0.36
▸ TPSB2 P20231 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36
▸ PIP5K1C O60331 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ TCF7L2 Q9NQB0 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NTRK1 P04629 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
SCHEMBL17764462 0.94 SUCNR1 (0.48) HDAC1SUCNR1CFDNAMPTF11
SCHEMBL16396451 0.88 HDAC1 (0.44) HDAC1SUCNR1CFDNAMPTF11
SCHEMBL16410327 0.84 SUCNR1 (0.39) HDAC1SUCNR1CFDNAMPTJAK2
SCHEMBL16410357 0.84 HDAC1 (0.41) HDAC1SUCNR1CFDNAMPTF11
SCHEMBL16397314 0.83 SUCNR1 (0.49) HDAC1SUCNR1CFDF11TPSB2
SCHEMBL16396992 0.83 SUCNR1 (0.60) HDAC1SUCNR1CFDF11TPSB2
SCHEMBL16410451 0.82 DDR2 (0.43) HDAC1SUCNR1CFD
SCHEMBL16397193 0.80 SUCNR1 (0.47) HDAC1SUCNR1CFDF11TPSB2
SCHEMBL16410285 0.80 SMN1; SMN2 (0.42) HDAC1SUCNR1MAPT
SCHEMBL16403611 0.80 SUCNR1 (0.45) HDAC1SUCNR1CFDNAMPTF11

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
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 HDAC1 3377/4885SUCNR1 4670/4885CFD 1/4885

“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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