SCHEMBL3072450

SCHEMBL3072450

COc1ccc(-c2cc(C(F)(F)F)c3nc(C(=O)N4CCC(N5CCOC5=O)CC4)c(Cl)n3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 1/20 0.38
RBP4 P02753 3/20 0.36
F10 P00742 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
P2RX7 Q99572 1/20 0.35
VNN1 O95497 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
STAT3 P40763 1/20 0.35

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
SCHEMBL3066293 0.92 NPC1 (0.37) ALDH1A1GAACASP1CASP7RBP4
SCHEMBL3071106 0.91 HSD11B1 (0.39) ALDH1A1RBP4F10SMN1; SMN2P2RX7
SCHEMBL3053749 0.91 F10 (0.36) ALDH1A1GAACASP1CASP7RBP4
SCHEMBL3063666 0.90 F10 (0.37) ALDH1A1GAACASP1CASP7RBP4
SCHEMBL3053754 0.90 SCD5 (0.39) RBP4F10VNN1SLC9A1TRPV1
SCHEMBL3071150 0.89 F10 (0.36) RBP4F10P2RX7VNN1SLC9A1
SCHEMBL3077029 0.88 S1PR1 (0.41) ALDH1A1RBP4F10KDM4EHSD17B10
SCHEMBL3075072 0.86 RET (0.41) F10P2RX7VNN1
SCHEMBL3057907 0.86 F10 (0.36) RBP4F10PKMVNN1TRPV1
SCHEMBL3068238 0.85 F10 (0.35) RBP4F10P2RX7VNN1TRPV1

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-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US claimed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
US-20100272680-A1 Piperidinyl Cyclic Amido Antiviral Agents BASKARAN SUBRAMANIAN 2010-10-28 US disclosed
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
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 ALDH1A1 1772/4885GAA 464/4885CASP1 393/4885

“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.