SCHEMBL3328799

SCHEMBL3328799

O=Cc1cc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c(Cc2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.37
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3324438 0.86 AGTR1 (0.33) AGTR1POLBSMN1; SMN2
SCHEMBL3328126 0.83 KDM4E (0.32) AGTR1POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL3326379 0.79 AGTR1 (0.35) AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL9033772 0.74 AGTR1 (0.41) AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL8784604 0.71 ABCG2 (0.39) AGTR1POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4638150 0.70 AGTR1 (0.45) AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL5603377 0.69 TRPV1 (0.42)
SCHEMBL30743612 0.68 ABCG2 (0.55) AGTR1POLBSMN1; SMN2ALDH1A1
SCHEMBL22615814 0.67 P2RX7 (0.35) POLBSMN1; SMN2ALDH1A1
SCHEMBL3607828 0.67 AGTR1 (0.38) AGTR1

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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 AGTR1 2359/4885POLB 2264/4885SMN1; SMN2 3325/4885

“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.