SCHEMBL16765902

SCHEMBL16765902

O=C(OCc1ccccc1)N1CCc2ncsc2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.52
DHFR P00374 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
GRIN2B Q13224 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDR P35968 1/20 0.47
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47

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
SCHEMBL741667 0.82 MAPK1 (0.59) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL2443335 0.81 MEN1 (0.53) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL9095158 0.80 MEN1 (0.54) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3820812 0.79 DHFR (0.54) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL30513280 0.79 MAPK1 (0.55) ALDH1A1GAAMAPTHPGDHSD17B10
SCHEMBL30513269 0.78 MAPK1 (0.63) MAPTMAPK1DRD2DRD3NPC1
SCHEMBL20509404 0.77 DHFR (0.55) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL28506393 0.77 DHFR (0.57) MEN1KMT2ADHFRNPSR1GRIN2B
SCHEMBL13518994 0.76 KDR (0.54) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL28474185 0.76 MAPK1 (0.68) MAPK1DRD2DRD3NPC1RAB9A

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
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
US-9169270-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2015-10-27 US disclosed
US-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICAL LTD. (CH) 2015-06-11 US 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-20150158883-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 MEN1 3915/4885KMT2A 4212/4885ALDH1A1 1392/4885

“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.