SCHEMBL7962201

SCHEMBL7962201

CCOC(=O)Cn1cc2c(n1)CCN(C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccc(C(=N)N)cc1)C2

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.83
ITGA2B P08514 6/20 0.83
KMT2A Q03164 2/20 0.40
HCRTR2 O43614 5/20 0.40
CA2 P00918 1/20 0.39
LMNA P02545 1/20 0.38
P2RX7 Q99572 1/20 0.36
HCRTR1 O43613 3/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR3 P51677 1/20 0.35
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
Hydrochloric Acid SCHEMBL7986123 0.99 ITGB3 (0.82) ITGB3ITGA2BKMT2AHCRTR2CA2
Trifluoroacetic Acid SCHEMBL7989642 0.96 ITGB3 (0.79) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7989513 0.93 ITGB3 (0.71) ITGB3ITGA2BKMT2AHCRTR2LMNA
SCHEMBL7989161 0.92 ITGB3 (0.70) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7986107 0.92 ITGB3 (0.82) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7975092 0.92 ITGB3 (0.70) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7975126 0.92 ITGB3 (0.79) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7986765 0.92 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2CA2
SCHEMBL7989233 0.91 ITGB3 (0.69) ITGB3ITGA2BKMT2AHCRTR2HCRTR1
SCHEMBL7986245 0.91 ITGB3 (0.69) ITGB3ITGA2BHCRTR2LMNAHCRTR1

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-6306880-B1 HETEROCYCLIC ALCOHOL DERIVATIVES AS FUNGICIDES SANKYO COMPANY, LIMITED (JP) 2001-10-23 US disclosed
US-20010031768-A1 Triazole antifungal agent SANKYO COMPANY LIMITED (JP) 2001-10-18 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-20010031768-A1 Triazole antifungal agent ERG28, RIF1, NAT1 ITGB3 2885/4885ITGA2B 4105/4885KMT2A 1099/4885

“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.