SCHEMBL3592492

SCHEMBL3592492

CCOC(=O)c1ccc(-c2cc(-c3nnn[nH]3)c(-c3ccc(C(=O)OCC)cc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.43
PRF1 P14222 1/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPT P10636 7/20 0.40
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HSD17B10 Q99714 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
MAPK14 Q16539 1/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3613513 0.88 ALDH1A1 (0.41) PRF1KDM4EMAPTRAB9ANPC1
SCHEMBL12497225 0.83 ALDH1A1 (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3607451 0.82 ESR1 (0.41) KDM4EALDH1A1RARBRARGESR1
SCHEMBL3595152 0.81 PRF1 (0.42) STK17BPRF1ESR1ESR2
SCHEMBL16062588 0.79 ESR1 (0.41) KDM4EMAPTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3605760 0.79 MAPK14 (0.66) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12496519 0.79 CA12 (0.44) PRF1KDM4EMAPTRAB9ANPC1
SCHEMBL6777016 0.79 LMNA (0.45) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3605751 0.77 SMN1; SMN2 (0.43) STK17BPRF1KDM4EMAPTRAB9A
SCHEMBL3604357 0.77 ESR1 (0.61) MAPTESR1ESR2

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 3 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US 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 (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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 STK17B 3400/4885PRF1 2604/4885KDM4E 4236/4885

“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.