SCHEMBL912503

SCHEMBL912503

OCCCN1N=C(Cl)C=C(N2CCOCC2)N1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GBA1 P04062 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ SLC29A1 Q99808 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 1/20 0.30

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
SCHEMBL912583 0.81 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL912707 0.78 POLB (0.35) ALDH1A1MAPT
SCHEMBL1434515 0.75 MAPT (0.34) TYMPMAPTCNR2
SCHEMBL19027031 0.64 MAPT (0.35) MAPTCNR2
SCHEMBL8458 0.59 ALDH1A1 (0.67) ALDH1A1
SCHEMBL9445300 0.58 CYP1A2 (0.32) MAPT
SCHEMBL912638 0.57 CYP1A2 (0.55) ALDH1A1MAPTRAF1BRAF
SCHEMBL5661986 0.57 ALDH1A1 (0.71) ALDH1A1
Hydrochloric Acid SCHEMBL516842 0.57 ALDH1A1 (0.64) ALDH1A1
SCHEMBL22609104 0.56 ALDH1A1 (0.75) ALDH1A1

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-7872005-B2 2-substituted heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-01-18 — — US disclosed
US-20060063739-A1 2-Substituted heteroaryl compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-03-23 — — 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-20060063739-A1 2-Substituted heteroaryl compounds IL2, IL4, IL2RA TYMP 4420/4885ALDH1A1 1298/4885MAPT 1171/4885

“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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