SCHEMBL3592991

SCHEMBL3592991

Cn1nnnc1-c1cc(-c2ccc(C(=O)O)cc2)sc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
HIF1A Q16665 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CSNK2A1 P68400 4/20 0.37
HCAR3 P49019 1/20 0.37
PLA2G10 O15496 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36

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
SCHEMBL3608422 0.87 NPSR1 (0.43) NPSR1HIF1ARXFP1CSNK2A1PLA2G10
SCHEMBL3603955 0.85 MAPT (0.44) NPSR1ESR1ESR2RARBRARG
SCHEMBL3605885 0.85 ESR1 (0.56) NPSR1HIF1ARXFP1ESR1ESR2
SCHEMBL3599918 0.82 MAPK14 (0.40) ESR1ESR2ALDH1A1HPGDMEN1
SCHEMBL3603115 0.80 ALDH1A1 (0.45) NPSR1KDM4EALDH1A1MAPTKMT2A
SCHEMBL3601696 0.79 TRPM8 (0.41) ESR1ESR2CSNK2A1HCAR3PLA2G10
SCHEMBL14575819 0.78 ABCC9 (0.51) NPSR1HIF1ARXFP1HCAR3RXRA
SCHEMBL3613039 0.78 KDM4E (0.43) NPSR1HIF1ARXFP1CSNK2A1ABCC9
SCHEMBL3603091 0.77 PTPN1 (0.45) NPSR1HIF1ARXFP1ABCC9ABCC8
SCHEMBL3602177 0.77 MAPK14 (0.57) NPSR1HIF1ARXFP1ESR1ABCC9

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 NPSR1 169/4885HIF1A 4467/4885RXFP1 943/4885

“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.