SCHEMBL3759234

SCHEMBL3759234

O=C1CN(C(=O)Oc2ccccc2)Cc2cc(F)c(F)cc2N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.44
▸ ROCK1 Q13464 4/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ LIPE Q05469 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL3428680 0.82 NPC1 (0.55) DPP4GAASMN1; SMN2MAPK1
SCHEMBL28958710 0.73 GAA (0.56) ROCK1ALOX15ROCK2LIPEGAA
SCHEMBL19616370 0.70 GAA (0.56) ALOX15GAASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL28474192 0.68 ALOX15 (0.56) ROCK1ALOX15ROCK2LIPESMN1; SMN2
SCHEMBL30202774 0.68 L3MBTL1 (0.64) ALOX15GAASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL18464821 0.67 BRD4 (0.47) DPP4ALOX15GAASMN1; SMN2CYP3A4
SCHEMBL12501430 0.67 NR1H2 (0.48) ROCK1ALOX15ROCK2LIPEGAA
SCHEMBL16215817 0.67 DPP4 (0.44) DPP4SMN1; SMN2ALDH1A1HTT
SCHEMBL28264805 0.66 GAA (0.54) ALOX15GAASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL2061081 0.66 NPC1 (0.52) ROCK1GAASMN1; SMN2MAPK1

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-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 — — US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 — — US 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 DPP4 1/4885ROCK1 3161/4885ALOX15 3220/4885

“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.

Send feedback