SCHEMBL5184272

SCHEMBL5184272

O=C(O)c1ccc(N2CC3C(C2)C3N(Cc2ccccc2)Cc2ccccc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DCTPP1 Q9H773 10/20 0.38
▸ SCD O00767 2/20 0.37
▸ IDH1 O75874 1/20 0.37
▸ CHRNA7 P36544 2/20 0.35
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL1812202 0.82 SCD (0.51) SCD
SCHEMBL1818131 0.74 LMNA (0.36) CHRNA7
SCHEMBL5184184 0.73 DPP7 (0.41) —
SCHEMBL937146 0.73 DRD4 (0.50) —
SCHEMBL8168773 0.70 FUCA1 (0.50) —
SCHEMBL27634139 0.68 HTR1A (0.52) DCTPP1SCD
SCHEMBL936514 0.68 HDAC1 (0.41) CHRNA7
SCHEMBL18484463 0.68 KMT2A (0.41) —
SCHEMBL7867642 0.68 KMT2A (0.41) —
SCHEMBL14820140 0.68 KMT2A (0.41) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1785747-B1 Ophthalmic contact lens with a coating protecting it against photodegradation and preparation process for such a contact lens ESSILOR INT (FR) 2018-02-28 — — EP disclosed
US-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase XENON PHARMACEUTICALS INC. (CA) 2007-12-27 — — US disclosed
EP-1799668-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2007-06-27 — — EP disclosed
EP-1785747-A1 Ophthalmic contact lens with a coating protecting it against photodegradation and preparation process for such a contact lens ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2007-05-16 — — EP disclosed
WO-2006034338-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDIATORS OF STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2006-03-30 — — 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-20070299081-A1 Heterocyclic Derivatives and Their Use as Mediators of Stearoyl-Coa Desaturase SCD, SCD5, NR1H2 DCTPP1 4073/4885SCD 1/4885IDH1 459/4885

“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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