SCHEMBL10272949

SCHEMBL10272949

CCc1cccc(OCCOc2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 5/20 0.55
▸ CHRNA4 P43681 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TSHR P16473 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL10224029 0.85 CHRNB2 (0.53) CHRNB2CHRNA4TSHRMAPK1TDP1
SCHEMBL15295402 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1
SCHEMBL13462940 0.84 MAPK1 (0.60) MAPK1
SCHEMBL16301357 0.84 LMNA (0.68) ALDH1A1SMN1; SMN2TDP1SLC6A2SLC6A4
SCHEMBL10224093 0.84 CHRNB2 (0.54) CHRNB2CHRNA4MAPK1TDP1
SCHEMBL8057463 0.80 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1
SCHEMBL10235855 0.79 TSHR (0.52) CHRNB2CHRNA4TSHRMAPK1TDP1
SCHEMBL10799020 0.78 KDM4E (0.58) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1
SCHEMBL4487459 0.78 KDM4E (0.68) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1
SCHEMBL13462936 0.78 LTA4H (0.55) ALDH1A1KDM4ESMN1; SMN2TSHRMAPK1

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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT CHRNB2 3321/4885CHRNA4 3917/4885ALDH1A1 947/4885

“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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