SCHEMBL3604637

SCHEMBL3604637

Cn1nnnc1-c1cc(C(=O)O)sc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.47
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 5/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2A P28223 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35

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
SCHEMBL3613774 0.82 HSD11B1 (0.47) HIF1ANPSR1RXFP1ALDH1A1KDM4E
SCHEMBL3613039 0.81 KDM4E (0.43) HIF1ANPSR1RXFP1ALDH1A1KDM4E
SCHEMBL3601455 0.80 ABCG2 (0.39) HTR2CALDH1A1KDM4EHPGDLMNA
SCHEMBL3615683 0.79 KDM4E (0.44) HIF1ANPSR1RXFP1ALDH1A1KDM4E
SCHEMBL3601335 0.78 CSNK1D (0.47) HIF1ANPSR1RXFP1ALDH1A1KDM4E
SCHEMBL3596790 0.76 MAPT (0.44) HIF1ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL3602177 0.76 MAPK14 (0.57) HIF1ANPSR1RXFP1ALDH1A1HPGD
SCHEMBL3603427 0.75 MCL1 (0.41) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL3609536 0.74 OPRD1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL3612431 0.74 SMN1; SMN2 (0.41) HIF1ANPSR1RXFP1ALDH1A1KDM4E

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 HTR2C 1178/4885HIF1A 4467/4885NPSR1 169/4885

“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.