SCHEMBL643615

SCHEMBL643615

COc1ccc2c(c1)CCc1c[nH]nc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALPL P05186 1/20 0.54
CLK1 P49759 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
ADORA1 P30542 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.47
CYP19A1 P11511 4/20 0.47
CYP11B2 P19099 2/20 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
SCHEMBL10341494 0.79 MEN1 (0.60) KDM4EMEN1KMT2AALPLCLK1
SCHEMBL17108416 0.78 MPO (0.59) KDM4EALDH1A1MAPTHTTCYP1A2
SCHEMBL12327868 0.78 ALDH1A1 (0.49) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL30112815 0.78 KDM4E (0.66) KDM4EMEN1KMT2AALPLCLK1
SCHEMBL3141978 0.73 MPO (0.54) KDM4EALDH1A1MAPTHTTCYP1A2
SCHEMBL6968785 0.73 MEN1 (0.62) KDM4EMEN1KMT2AALPLCLK1
SCHEMBL2607471 0.72 DRD1 (0.62) KDM4EALDH1A1MAPTHTTBCL2
SCHEMBL2710570 0.72 KDM4E (0.59) KDM4EMEN1KMT2AALPLCLK1
SCHEMBL21293812 0.72 SRD5A2 (0.54) KDM4EMEN1KMT2AALPLCLK1
SCHEMBL6070686 0.72 MAPK10 (0.62) KDM4EMEN1KMT2AHSD17B10ALDH1A1

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-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
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 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 KDM4E 1913/4885MEN1 3933/4885KMT2A 2396/4885

“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.