SCHEMBL16397553

SCHEMBL16397553

C#Cc1cccc(-c2cccc(CNC(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.55
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CFD P00746 1/20 0.44
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
FFAR1 O14842 2/20 0.42
PADI3 Q9ULW8 4/20 0.41
PADI4 Q9UM07 3/20 0.41
PADI1 Q9ULC6 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
CHRM3 P20309 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL922934 0.82 FFAR1 (0.47) CYP2C9CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL16396868 0.80 AOC3 (0.58) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL2450156 0.78 AOC3 (0.56) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL16396984 0.78 AOC3 (0.60) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL2454247 0.77 AOC3 (0.59) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL5581782 0.77 AOC3 (0.49) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL8059189 0.77 CYP1A2 (0.68) AOC3CYP2C9CYP1A2CYP2D6TSHR
SCHEMBL15687811 0.77 HDAC6 (0.56) CFD
SCHEMBL22501609 0.76 PRMT6 (0.62) AOC3CYP2C9CYP2D6
SCHEMBL20497351 0.76 SRC (0.58) AOC3CYP2C9CYP1A2CYP2D6TSHR

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
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

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 AOC3 600/4885CYP2C9 228/4885CYP1A2 402/4885

“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.