SCHEMBL857196

SCHEMBL857196

O=C(c1ccccc1)C(Sc1nnc[nH]1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
KDM4E B2RXH2 3/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
CYP3A4 P08684 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.46
MPO P05164 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
CES2 O00748 1/20 0.40

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
SCHEMBL23527342 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL1710002 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL10882291 0.73 LMNA (0.59) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL881068 0.72 ALDH1A1 (1.00) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL5793312 0.70 TDP1 (0.59) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL23527323 0.68 ALDH1A1 (0.49) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL8804842 0.68 L3MBTL1 (0.55) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL11865755 0.67 ALDH1A1 (0.50) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL11733880 0.66 ALDH1A1 (0.60) ALDH1A1KDM4EALOX15HSD17B10TP53
SCHEMBL22686837 0.65 TDP1 (0.52) ALDH1A1KDM4EALOX15HSD17B10TP53

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
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP claimed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US claimed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO claimed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 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 (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-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885KDM4E 1913/4885ALOX15 2411/4885

“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.