SCHEMBL3327277

SCHEMBL3327277

c1ccc(C(c2ccccc2)(c2ccccc2)n2nnc(-c3ccsc3-c3cccc4ccccc34)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TGFBR1 P36897 1/20 0.32
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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 0.81 PTGS2 (0.37) HPGDSMN1; SMN2ABCG2L3MBTL1AGTR1
SCHEMBL3328019 0.78 MAPK14 (0.43) SMN1; SMN2TP53NFKB1NFKB2RELA
SCHEMBL3328548 0.76 AGTR1 (0.32) SMN1; SMN2ABCG2AGTR1
SCHEMBL22846841 0.74 CYP3A4 (0.35) ALDH1A1HPGDSMN1; SMN2KDM4EAGTR1
SCHEMBL9034442 0.74 NPC1 (0.36) MAPTSMN1; SMN2AGTR1
SCHEMBL9429714 0.73 ABCG2 (0.36) MAPTSMN1; SMN2ABCG2AGTR1
SCHEMBL3326379 0.72 AGTR1 (0.35) ALDH1A1HPGDSMN1; SMN2L3MBTL1AGTR1
SCHEMBL9031516 0.71 PTGS1 (0.43) SMN1; SMN2AGTR1
SCHEMBL30743612 0.71 ABCG2 (0.55) ALDH1A1HPGDMAPTSMN1; SMN2ABCG2
SCHEMBL9033026 0.70 AGTR1 (0.38) SMN1; SMN2AGTR1

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 ALDH1A1 2098/4885HPGD 690/4885MAPT 3622/4885

“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.