SCHEMBL3074208

SCHEMBL3074208

COC(=O)c1nc2c(C(F)(F)F)cc(-c3cccnc3)cn2c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.48
NR4A2 P43354 2/20 0.44
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MC4R P32245 1/20 0.43
HTR2A P28223 5/20 0.41
HTR2C P28335 5/20 0.41
HTR2B P41595 5/20 0.41
ERN1 O75460 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LDHA P00338 1/20 0.40
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SLC2A1 P11166 1/20 0.39
CYP1A2 P05177 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3703173 0.88 ERN1 (0.43) CFTRMC4RERN1RXFP1SCN5A
SCHEMBL1583465 0.82 NOTUM (0.42) CFTRNR4A2MC4RLDHAKDM4E
SCHEMBL3793277 0.81 NOTUM (0.41) CFTRNR4A2ERN1RXFP1LDHA
SCHEMBL1583743 0.80 CFTR (0.53) CFTRNR4A2RXFP1LDHACYP1A2
SCHEMBL13261945 0.80 MC4R (0.37) CFTRMC4RHTR2AHTR2CHTR2B
SCHEMBL3058542 0.79 NOTUM (0.39) CFTRLDHAKDM4EALDH1A1HPGD
SCHEMBL3795078 0.79 SCN9A (0.37) CFTRMC4RHTR2AHTR2CHTR2B
SCHEMBL7495659 0.79 RXFP1 (0.44) RXFP1CYP1A2KDM4EALDH1A1HPGD
SCHEMBL1583640 0.78 NOTUM (0.41) CFTRLDHAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3058679 0.78 KDM4E (0.43) LDHAKDM4EALDH1A1NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
WO-2010091411-A1 PIPERIDINYL CYCLIC AMIDO ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2010-08-12 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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents ZC3HAV1, MAVS, EIF2AK2 CFTR 148/4885NR4A2 3992/4885CYP19A1 3762/4885

“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.