SCHEMBL17755717

SCHEMBL17755717

Cc1nnc(CCC(=O)Nc2ccccc2)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ HTT P42858 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RGS12 O14924 1/20 0.50
▸ USP2 O75604 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ PKM P14618 2/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HPGD P15428 1/20 0.46

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
SCHEMBL15986278 0.80 RECQL (0.54) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL17755761 0.76 MEN1 (0.48) MAPTHTTHSD17B10APOBEC3AAPOBEC3G
SCHEMBL17755752 0.76 MEN1 (0.48) MAPTHTTHSD17B10APOBEC3AAPOBEC3G
SCHEMBL17755721 0.74 MAPT (0.51) MAPTHTTMAPK1ALDH1A1MEN1
SCHEMBL17755763 0.73 LMNA (0.49) HTTALDH1A1KMT2AKDM4EUSP2
SCHEMBL17755759 0.73 LMNA (0.49) HTTALDH1A1KMT2AKDM4EUSP2
SCHEMBL15986473 0.73 DGAT1 (0.49) MAPTHTTMAPK1ALDH1A1MEN1
SCHEMBL17755775 0.71 LMNA (0.44) MAPTHTTKDM4EUSP2GAA
SCHEMBL3342586 0.71 L3MBTL1 (0.80) MAPTHTTALDH1A1KDM4EHPGD
Methyl Alcohol SCHEMBL4593446 0.71 MAPT (0.93) MAPTHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 MAPT 1336/4885HTT 2583/4885HSD17B10 851/4885

“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.

Send feedback