SCHEMBL3053589

SCHEMBL3053589

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.37
CFTR P13569 2/20 0.34
LDHA P00338 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.32
P4HB P07237 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3057918 0.90 NOTUM (0.36) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL1583640 0.84 NOTUM (0.41) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL1583159 0.83 NOTUM (0.40) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL3691065 0.83 CFTR (0.40) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL1584276 0.83 NOTUM (0.38) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL3058539 0.82 NOTUM (0.37) NOTUMCFTRLDHAKMT2A
SCHEMBL1583635 0.82 NOTUM (0.36) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL1583636 0.82 NOTUM (0.36) NOTUMCFTRLDHAALDH1A1KDM4E
SCHEMBL1583187 0.82 NOTUM (0.38) NOTUMCFTRLDHAMRGPRX4KMT2A
SCHEMBL1583160 0.81 NOTUM (0.37) NOTUMCFTRLDHAALDH1A1KDM4E

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 NOTUM 3110/4885CFTR 148/4885LDHA 3993/4885

“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.