SCHEMBL16397125

SCHEMBL16397125

COC(=O)Cc1ccccc1OCc1cc(Cl)cc(/C=N/[S+]([O-])C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ CFD P00746 4/20 0.34
▸ F11 P03951 4/20 0.34
▸ TPSB2 P20231 4/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SLC1A5 Q15758 1/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ADCYAP1R1 P41586 1/20 0.34

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
SCHEMBL16397126 1.00 LMNA (0.36) LMNACFDF11TPSB2CYP1A2
SCHEMBL16397478 0.91 CFD (0.43) CFDF11TPSB2PTGDR2PLG
SCHEMBL16397479 0.91 CFD (0.43) CFDF11TPSB2PTGDR2PLG
SCHEMBL17764330 0.91 CFD (0.43) CFDF11TPSB2PTGDR2PLG
SCHEMBL16396918 0.82 GAA (0.40) LMNACFDF11TPSB2CYP1A2
SCHEMBL16396575 0.77 CFD (0.47) LMNACFDF11TPSB2SLC1A5
SCHEMBL16396221 0.76 CFD (0.50) CFDF11TPSB2SLC1A5GAA
SCHEMBL16396596 0.76 CFD (0.45) LMNACFDF11TPSB2SLC1A5
SCHEMBL16396373 0.75 CFD (0.36) CFDF11TPSB2SLC1A5GAA
SCHEMBL16397254 0.73 MRGPRX4 (0.46) GAAMAPTPOLBMEN1KMT2A

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
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 LMNA 1205/4885CFD 1/4885F11 17/4885

“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.

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