SCHEMBL719413

SCHEMBL719413

Cc1coc2c(F)cc(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KCNA3 P22001 8/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL31191648 1.00 KDM4E (0.35) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL5986722 0.80 KCNA3 (0.36) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL13725473 0.80 KCNA3 (0.39) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL17321059 0.80 KCNA3 (0.36) KDM4EALDH1A1TSHRMAPK1KCNA3
SCHEMBL30933173 0.76 ALDH1A1 (0.34) KDM4EALDH1A1TSHRMAPK1
SCHEMBL5988056 0.71 HTR2A (0.41) —
SCHEMBL5985858 0.71 SMN1; SMN2 (0.36) KDM4EALDH1A1TSHRMAPK1
SCHEMBL30395048 0.71 ACHE (0.39) ALDH1A1KCNA3
SCHEMBL289277 0.71 ACHE (0.39) ALDH1A1KCNA3
SCHEMBL21632934 0.71 ALDH1A1 (0.47) KDM4EALDH1A1TSHRMAPK1MAOA

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 — — US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 — — US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 — — US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 — — EP 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885TSHR 1555/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885TSHR 1555/4885

“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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