SCHEMBL2597079

SCHEMBL2597079

O=[N+]([O-])c1cc2c(cc1F)SCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ VCAM1 P19320 1/20 0.38
▸ ESPL1 Q14674 1/20 0.37
▸ PGR P06401 2/20 0.36
▸ MAPT P10636 7/20 0.33
▸ LMNA P02545 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL30675683 0.77 HDAC1 (0.42) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL30951206 0.73 ATM (0.47) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL29284876 0.73 ATM (0.47) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL4670199 0.71 TDP1 (0.62) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL20594535 0.70 ESPL1 (0.44) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL2597035 0.69 CTSL (0.36) ALDH1A1
SCHEMBL45486 0.69 TDP1 (0.60) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL22271535 0.68 ATM (0.46) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL34473826 0.68 ATM (0.46) ATMTDP1ALDH1A1HIF1AVCAM1
SCHEMBL27035058 0.68 ATM (0.46) ATMTDP1ALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 — — US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 — — US disclosed
EP-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 — — EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 — — 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 ATM 3859/4885TDP1 4832/4885ALDH1A1 2163/4885

“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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