SCHEMBL3596790

SCHEMBL3596790

COc1cccc(-c2sc(C(=O)O)cc2-c2nnnn2C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
HIF1A Q16665 1/20 0.41
GLA P06280 1/20 0.41
PTPN1 P18031 1/20 0.41
OPRD1 P41143 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL3609536 0.88 OPRD1 (0.54) MAPTRAB9ATSHRALDH1A1HPGD
SCHEMBL3601335 0.85 CSNK1D (0.47) RAB9ALMNANPSR1ALDH1A1KDM4E
SCHEMBL3613039 0.84 KDM4E (0.43) MAPTRAB9ATSHRLMNANPSR1
SCHEMBL3610616 0.83 NPSR1 (0.48) MAPTRAB9ATSHRLMNANPSR1
SCHEMBL3601669 0.81 MAPK1 (0.50) MAPTRAB9ATSHRLMNAALDH1A1
SCHEMBL3613774 0.81 HSD11B1 (0.47) MAPTRAB9ATSHRLMNANPSR1
SCHEMBL3602177 0.79 MAPK14 (0.57) LMNANPSR1ALDH1A1HPGDHIF1A
SCHEMBL3598647 0.78 PIN1 (0.44) MAPTRAB9ALMNAALDH1A1HPGD
SCHEMBL3604637 0.76 HTR2C (0.47) LMNANPSR1ALDH1A1HPGDKDM4E
SCHEMBL3603100 0.76 NPC1 (0.40) MAPTRAB9ANPSR1ALDH1A1HPGD

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 MAPT 4883/4885RAB9A 3435/4885TSHR 942/4885

“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.