SCHEMBL3328019

SCHEMBL3328019

Fc1ccc(-c2sccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.43
PTGS1 P23219 11/20 0.40
PTGS2 P35354 6/20 0.37
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3329106 0.91 PTGS2 (0.37) MAPK14PTGS2POLBRAB9ASMN1; SMN2
SCHEMBL3327277 0.78 ALDH1A1 (0.33) TP53NFKB1NFKB2RELASMN1; SMN2
SCHEMBL3328548 0.77 AGTR1 (0.32) POLBSMN1; SMN2
SCHEMBL9031516 0.77 PTGS1 (0.43) PTGS1PTGS2POLBSMN1; SMN2
SCHEMBL9033026 0.76 AGTR1 (0.38) PTGS1PTGS2POLBSMN1; SMN2
SCHEMBL9034442 0.75 NPC1 (0.36) NPC1POLBRAB9ASMN1; SMN2
SCHEMBL22846841 0.75 CYP3A4 (0.35) POLBSMN1; SMN2
SCHEMBL3326379 0.73 AGTR1 (0.35) POLBRAB9ASMN1; SMN2
SCHEMBL18940668 0.73 AGTR1 (0.42) NPC1TP53POLBPKMNFKB1
SCHEMBL30743612 0.72 ABCG2 (0.55) NPC1POLBPKMRAB9ASMN1; 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 2 patents. 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
WO-2008128321-A1 THERAPEUTIC PRO-ANTIBIOTIC AGENTS AND METHODS OF USE THEREOF DENOVAMED INC. (CA) 2008-10-30 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-20100137388-A1 Therapeutic Pro-Antibiotic Agents and Methods of Use Thereof NAT1, NAPEPLD, NR1I2 MAPK14 4071/4885PTGS1 810/4885PTGS2 1331/4885

“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.