SCHEMBL16397186

SCHEMBL16397186

COC(=O)Cc1ccc(CNC(C)=O)cc1OCc1cccc(-c2cccc(CNC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
HDAC1 Q13547 1/20 0.40
CD274 Q9NZQ7 3/20 0.40
MTNR1A P48039 4/20 0.39
GLS O94925 2/20 0.39
SYK P43405 1/20 0.39
MTNR1B P49286 3/20 0.39
CFD P00746 3/20 0.39
F11 P03951 3/20 0.39
TPSB2 P20231 3/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
F7 P08709 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
PDCD1 Q15116 2/20 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
SCHEMBL16396196 0.93 BRD4 (0.40) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396606 0.92 CFD (0.49) BRD4CREBBPHDAC1MTNR1AGLS
SCHEMBL16410528 0.90 MRGPRX4 (0.41) BRD4CREBBPHDAC1CD274GLS
SCHEMBL16397752 0.89 BRD4 (0.40) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16397602 0.89 BRD4 (0.41) BRD4CREBBPHDAC1GLSSYK
SCHEMBL16410286 0.89 CFD (0.51) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396681 0.88 BRD4 (0.37) BRD4CREBBPHDAC1MTNR1AGLS
SCHEMBL17772662 0.88 MTNR1A (0.42) CD274MTNR1ASYKMTNR1BCFD
SCHEMBL16397233 0.87 HDAC1 (0.41) BRD4CREBBPHDAC1GLSCFD
SCHEMBL16396577 0.86 PDCD1 (0.43) CD274PDCD1

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 5 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
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 BRD4 1795/4885CREBBP 4650/4885HDAC1 3377/4885

“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.