SCHEMBL16397173

SCHEMBL16397173

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
KMT2A Q03164 6/20 0.50
POLB P06746 5/20 0.50
MEN1 O00255 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACP1 P24666 1/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
CREBBP Q92793 1/20 0.45
MAPT P10636 2/20 0.45
EGFR P00533 1/20 0.44
NR4A1 P22736 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL29141123 0.89 KMT2A (0.56) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL16397384 0.83 GAA (0.55) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL28069880 0.83 KMT2A (0.57) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL16397403 0.82 MEN1 (0.53) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL26997457 0.79 KMT2A (0.50) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL26547645 0.77 KMT2A (0.78) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL3090260 0.77 POLB (0.67) GAAKMT2APOLBMEN1L3MBTL1
SCHEMBL28468889 0.76 HPGD (0.56) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL31071795 0.76 HPGD (0.56) KMT2APOLBMEN1SMN1; SMN2ALDH1A1
SCHEMBL176804 0.76 LTA4H (0.53) GAAKMT2APOLBMEN1

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 6 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
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN 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.