SCHEMBL3324438

SCHEMBL3324438

Ic1cc(-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c(Cc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.33
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTPN1 P18031 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
SCHEMBL3328799 0.86 AGTR1 (0.37) AGTR1POLBSMN1; SMN2
SCHEMBL3326379 0.81 AGTR1 (0.35) AGTR1RAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL9429714 0.74 ABCG2 (0.36) AGTR1RAB9APOLBSMN1; SMN2
SCHEMBL3328548 0.72 AGTR1 (0.32) AGTR1POLBSMN1; SMN2
SCHEMBL5603377 0.70 TRPV1 (0.42) RAB9AL3MBTL1
SCHEMBL30743612 0.69 ABCG2 (0.55) AGTR1RAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL3607828 0.69 AGTR1 (0.38) AGTR1
SCHEMBL7749400 0.68 AGTR1 (0.42) AGTR1RAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL4638378 0.68 SMN1; SMN2 (0.51) RAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL16370823 0.68 AGTR1 (0.43) AGTR1RAB9AL3MBTL1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof DENOVAMED INC. (CA) 2010-06-03 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 WO disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 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 (2 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 AGTR1 912/4885RAB9A 3435/4885L3MBTL1 2753/4885
US-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 AGTR1 2359/4885RAB9A 4102/4885L3MBTL1 816/4885

“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.