SCHEMBL3604612

SCHEMBL3604612

Cn1nnnc1-c1cc(-c2ccccc2C(=O)O)sc1-c1ccccc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
HIF1A Q16665 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MYC P01106 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
POLB P06746 2/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
PLA2G10 O15496 1/20 0.34
HTT P42858 1/20 0.33

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
SCHEMBL3606367 0.87 PDE4D (0.41) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL3592991 0.75 NPSR1 (0.40) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL3608422 0.74 NPSR1 (0.43) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL3613774 0.74 HSD11B1 (0.47) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL3605747 0.73 KDM4E (0.38) KDM4EUSP2ALDH1A1TSHRMYC
SCHEMBL3613039 0.72 KDM4E (0.43) NPSR1HIF1ARXFP1KDM4EUSP2
SCHEMBL17080330 0.71 BCAT2 (0.46) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL19207105 0.70 CSNK2A1 (0.45) NPSR1HIF1ARXFP1ALDH1A1TSHR
SCHEMBL3615683 0.70 KDM4E (0.44) NPSR1HIF1ARXFP1KDM4EALDH1A1
SCHEMBL3605885 0.69 ESR1 (0.56) NPSR1HIF1ARXFP1HTR2CMAPT

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.