SCHEMBL16397384

SCHEMBL16397384

CCC(=O)Nc1cc(Br)cc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
KMT2A Q03164 4/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 3/20 0.54
LMNA P02545 1/20 0.53
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 2/20 0.51
NOTUM Q6P988 1/20 0.50
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
BLM P54132 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.45
ACP1 P24666 1/20 0.45

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
SCHEMBL22845009 0.90 KMT2A (0.61) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL16397173 0.83 GAA (0.58) GAAKMT2APOLBALDH1A1MEN1
SCHEMBL5218074 0.83 ALDH1A1 (0.48) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL26547645 0.81 KMT2A (0.78) GAAKMT2APOLBKDM4ELMNA
SCHEMBL21839899 0.80 NOTUM (0.53) GAAKMT2APOLBKDM4ELMNA
SCHEMBL21839968 0.80 NOTUM (0.56) GAAKMT2APOLBKDM4ELMNA
SCHEMBL20839915 0.79 ALDH1A1 (0.61) KMT2AKDM4ELMNAALDH1A1HSD17B10
SCHEMBL18172338 0.79 NOTUM (0.53) GAAKMT2APOLBKDM4ELMNA
SCHEMBL20839916 0.79 KDM4E (0.49) KMT2APOLBKDM4ELMNAALDH1A1
SCHEMBL184614 0.78 NOTUM (0.67) GAAKMT2APOLBKDM4ELMNA

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 GAA 1826/4885KMT2A 1918/4885POLB 3589/4885

“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.