SCHEMBL16410345

SCHEMBL16410345

CC(C)(C)OC(=O)NCc1cccc(-c2cccc(CO)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.46
CREBBP Q92793 1/20 0.46
ACACB O00763 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACACA Q13085 1/20 0.44
GLS O94925 4/20 0.44
GRM2 Q14416 1/20 0.43
DYRK1A Q13627 1/20 0.43
TRPV3 Q8NET8 1/20 0.42
KDM4A O75164 1/20 0.42
CCKBR P32239 1/20 0.42
NAMPT P43490 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL30993811 0.84 ACACB (0.47) BRD4CREBBPACACBCYP1A2CYP3A4
SCHEMBL16410343 0.83 BRD4 (0.46) BRD4CREBBPACACBCYP1A2CYP3A4
SCHEMBL16410240 0.83 BRD4 (0.53) BRD4CREBBPGLSGRM2KDM4A
SCHEMBL4402738 0.82 BRD4 (0.49) BRD4CREBBPACACBCYP1A2CYP3A4
SCHEMBL31755970 0.82 BRD4 (0.49) BRD4CREBBPACACBCYP1A2CYP3A4
SCHEMBL16396753 0.82 AOC3 (0.45) CYP1A2CYP2C9TRPV3
SCHEMBL30504293 0.81 HDAC1 (0.56) BRD4CREBBPGLSKDM4ANAMPT
SCHEMBL26616783 0.81 TRPV3 (0.48) ACACBACACATRPV3KDM4AHDAC1
SCHEMBL16410225 0.80 CFD (0.48) ACACBCYP1A2CYP3A4CYP2C9ACACA
SCHEMBL6242494 0.80 HDAC1 (0.55) BRD4CREBBPGLSGRM2KDM4A

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 4 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
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 4650/4885ACACB 1288/4885

“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.