SCHEMBL5138970

SCHEMBL5138970

O=C(O)c1ccc2c(c1)N=CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SRD5A2 P31213 4/20 0.42
KDM4E B2RXH2 6/20 0.40
MAPT P10636 5/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
TET2 Q6N021 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
KDM7A Q6ZMT4 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
SCHEMBL3199131 0.85 ALDH1A1 (0.47) ALDH1A1SRD5A2KDM4EMAPTCA12
SCHEMBL27767108 0.80 TRPA1 (0.57) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL7400636 0.77 TDP2 (0.50) ALDH1A1SRD5A2KDM4EMAPTCA12
SCHEMBL4024917 0.74 ALDH1A1 (0.43) ALDH1A1SRD5A2KDM4EMAPTCA12
SCHEMBL7001972 0.74 SRD5A2 (0.46) ALDH1A1SRD5A2KDM4EMAPTPOLB
SCHEMBL25171204 0.71 ALDH1A1 (0.49) ALDH1A1SRD5A2KDM4EMAPTCA12
SCHEMBL9770840 0.70 PTPN1 (0.44) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL29790265 0.70 KDM4E (0.41) ALDH1A1KDM4EMAPTCA12CA1
SCHEMBL8369280 0.70 ALDH1A1 (0.50) ALDH1A1SRD5A2KDM4EMAPTCA12
SCHEMBL1239354 0.70 HTT (0.42) ALDH1A1KDM4EMAPTCA12CA1

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-7427632-B2 Factor Xa inhibitors ELI LILLY AND COMPANY (US) 2008-09-23 US disclosed
US-20060052606-A1 Factor xa Inhibitors ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1581493-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
WO-2004060872-A1 FACTOR XA INHIBITORS ELI LILLY AND COMPANY (US) 2004-07-22 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-20060052606-A1 Factor xa Inhibitors F12, F11, SERPINC1 ALDH1A1 3097/4885SRD5A2 553/4885KDM4E 2994/4885

“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.