SCHEMBL6001723

SCHEMBL6001723

O=c1cc(-c2ccncc2)[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 7/20 0.75
CTSL P07711 7/20 0.75
HPGD P15428 7/20 0.75
LMNA P02545 6/20 0.75
KDM4E B2RXH2 5/20 0.75
TP53 P04637 2/20 0.75
HSD17B10 Q99714 2/20 0.75
TUBB4A P04350 1/20 0.75
TUBB P07437 1/20 0.75
TUBA3C P0DPH7 1/20 0.75
TUBA1B P68363 1/20 0.75
TUBA4A P68366 1/20 0.75
TUBB4B P68371 1/20 0.75
TUBB3 Q13509 1/20 0.75
TUBB2A Q13885 1/20 0.75
TUBB8 Q3ZCM7 1/20 0.75
TUBA3E Q6PEY2 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
TUBA1A Q71U36 1/20 0.75
TUBA1C Q9BQE3 1/20 0.75

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
SCHEMBL29411863 0.86 HPGD (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL367268 0.86 HPGD (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL15966747 0.83 CTSV (0.69) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL6534180 0.80 HPGD (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL311524 0.80 CTSV (0.75) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL6001399 0.80 CTSV (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL30935678 0.80 HPGD (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL29411879 0.80 CTSV (1.00) CTSVCTSLHPGDLMNAKDM4E
SCHEMBL30462938 0.80 KDM4E (1.00) CTSVCTSLHPGDLMNAKDM4E
Acetic Acid SCHEMBL6142950 0.79 HPGD (0.84) CTSVCTSLHPGDLMNAKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods REDDY US THERAPEUTICS, INC. 2006-06-15 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-20060128702-A1 Heterocyclic and bicyclic compounds, compositions and methods HPSE, ENGASE, UGCG CTSV 87/4885CTSL 388/4885HPGD 189/4885

“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.