SCHEMBL1423554

SCHEMBL1423554

COc1c(C#N)cccc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SQOR Q9Y6N5 2/20 0.46
▸ PDE3B Q13370 3/20 0.42
▸ PDE3A Q14432 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 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
SCHEMBL16428785 0.85 MAOA (0.47) SQORKDM4EHPGDTSHRPDE4A
SCHEMBL3255411 0.83 KDM4E (0.47) SQORKDM4ELMNAHPGDCYP2C19
SCHEMBL30630405 0.83 KDM4E (0.47) SQORKDM4ELMNAHPGDCYP2C19
SCHEMBL3224025 0.77 ESR2 (0.60) SQORPDE3BPDE3AKDM4EPDE5A
SCHEMBL31663514 0.77 ESR2 (0.60) SQORPDE3BPDE3AKDM4EPDE5A
SCHEMBL6736896 0.76 POLB (0.47) KDM4ETSHRALDH1A1MAPT
SCHEMBL27415512 0.76 IKBKB (0.41) SQORKDM4ETSHRGSK3AGSK3B
SCHEMBL28308744 0.76 KDM4E (0.51) KDM4EHPGDNPC1ALDH1A1MAPT
SCHEMBL20165895 0.76 GSK3A (0.45) SQORPDE3BPDE3AKDM4EPDE5A
SCHEMBL2043860 0.76 CYP2C8 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2011-09-15 — — US disclosed
EP-2297131-A2 DI-SUBSTITUTED PHENYL COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Envivo Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009158467-A2 DI-SUBSTITUTED PHENYL COMPOUNDS ENVIVO PHARMACEUTICALS, INC. (US) 2009-12-30 — — 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-20110224204-A1 DI-SUBSTITUTED PHENYL COMPOUNDS PDE10A, PDE1A, PDE12 SQOR 865/4885PDE3B 16/4885PDE3A 9/4885

“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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