SCHEMBL3606893

SCHEMBL3606893

COc1ccc(-c2cc(-c3nnn[nH]3)c(-c3ccc(OC)cc3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.44
KIT P10721 2/20 0.44
APP P05067 3/20 0.42
PTGS2 P35354 1/20 0.42
OPRD1 P41143 1/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
PDPK1 O15530 1/20 0.40
MAPT P10636 2/20 0.39
PLCG2 P16885 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
DYRK1A Q13627 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL3601027 0.86 HDAC6 (0.41) RAB9ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL16062588 0.85 ESR1 (0.41) SMN1; SMN2KDM4EALDH1A1HPGDMAPT
SCHEMBL3604357 0.82 ESR1 (0.61) APPMAPTESR1ESR2
SCHEMBL3601024 0.82 MAPK14 (0.42) PTGS2RAB9AKDM4EHPGDPDPK1
SCHEMBL3604294 0.81 OPRD1 (0.56) PTGS2OPRD1RAB9ASMN1; SMN2NPC1
SCHEMBL3612213 0.80 CDC7 (0.40) KDM4EMAPTESR1ESR2
SCHEMBL11520829 0.79 ESR1 (0.59) PDGFRBKITAPPPTGS2OPRD1
SCHEMBL672108 0.77 KDM4E (0.50) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL3607451 0.77 ESR1 (0.41) KDM4EALDH1A1ESR1ESR2MAPK1
SCHEMBL3595152 0.76 PRF1 (0.42) ESR1ESR2MAPK1

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 PDGFRB 2885/4885KIT 3569/4885APP 3849/4885

“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.