SCHEMBL1308966

SCHEMBL1308966

O=C(NCCO)c1ccc(O)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MMP13 P45452 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ NEK1 Q96PY6 1/20 0.45
▸ FYN P06241 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GABRA5 P31644 4/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.43

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
SCHEMBL13286818 0.91 KDM4E (0.53) POLBKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27117782 0.85 KDM4E (0.51) HPGDKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL7660982 0.84 POLB (0.56) POLBHPGDHTTKDM4EMMP13
SCHEMBL12999515 0.83 CA1 (0.51) POLBHPGDKDM4ENPC1RAB9A
SCHEMBL28773428 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL20255504 0.83 POLB (0.50) POLBHPGDHTTKDM4EMMP13
SCHEMBL10184945 0.82 CYP1A2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12143427 0.81 KDM4E (0.72) POLBHPGDHTTKDM4EMMP13
SCHEMBL29127177 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13
SCHEMBL19835593 0.81 EPHX2 (0.63) POLBHPGDHTTKDM4EMMP13

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-1838696-B1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA AS (DK) 2016-03-09 — — EP disclosed
US-8053446-B2 Cyanoguanidine compounds LEO PHARMA A/S (DK) 2011-11-08 — — US disclosed
US-20080312275-A1 Novel Cyanoguanidine Compounds LEO PHARMA A/S (DK) 2008-12-18 — — US disclosed
EP-1838696-A1 NOVEL CYANOGUANIDINE COMPOUNDS Leo Pharma A/S (DK) 2007-10-03 — — EP disclosed
WO-2006066584-A1 NOVEL CYANOGUANIDINE COMPOUNDS LEO PHARMA A/S (DK) 2006-06-29 — — 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-20080312275-A1 Novel Cyanoguanidine Compounds MKI67, CCNA1, COL1A1 POLB 120/4885HPGD 53/4885HTT 2749/4885

“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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