SCHEMBL19487331

SCHEMBL19487331

COc1ccc(SCCNC(=O)OC(C)(C)C)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
GAA P10253 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KDM4E B2RXH2 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
IDO1 P14902 2/20 0.46
ALDH1A1 P00352 4/20 0.46
DRD2 P14416 3/20 0.45
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
KMT2A Q03164 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL19461960 0.82 HTT (0.64) HTTGAANPC1RAB9ASMN1; SMN2
SCHEMBL13306470 0.82 IDO1 (0.46) MTNR1AMTNR1BIDO1ALDH1A1
SCHEMBL7894530 0.81 MTNR1A (0.48) MTNR1AMTNR1BIDO1ALDH1A1
SCHEMBL21528087 0.80 IDO1 (0.43) HTTGAANPC1RAB9ASMN1; SMN2
SCHEMBL445683 0.80 ALDH1A1 (0.48) HTTGAANPC1RAB9ASMN1; SMN2
SCHEMBL24671054 0.80 IDO1 (0.49) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL19462169 0.80 HTT (0.57) HTTGAANPC1RAB9ASMN1; SMN2
SCHEMBL22015112 0.80 ALDH1A1 (0.53) HTTGAANPC1RAB9ASMN1; SMN2
SCHEMBL18295921 0.80 L3MBTL1 (0.55) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL7018125 0.80 IDO1 (0.58) HTTGAASMN1; SMN2KDM4EMTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 WO disclosed
US-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2015-11-19 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-20150328207-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 HTT 265/4885GAA 272/4885NPC1 117/4885

“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.