SCHEMBL19354588

SCHEMBL19354588

NC(c1cccs1)C(O)c1nnn[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
EGFR P00533 1/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KEAP1 Q14145 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ALOX5 P09917 1/20 0.32
CYP3A4 P08684 2/20 0.31

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
SCHEMBL11134732 0.77 TSHR (0.37) TSHRMAPTNPC1RAB9ATOP2A
SCHEMBL19328588 0.75 TSHR (0.33) TSHRMAPTNPC1RAB9ATOP2A
SCHEMBL19354532 0.74 DPP4 (0.43) ALDH1A1L3MBTL1
SCHEMBL11736584 0.73 TSHR (0.34) TSHRMAPTNPC1RAB9ATOP2A
SCHEMBL18739887 0.70 CES2 (0.46) TSHRMAPTNPC1RAB9ATOP2A
SCHEMBL24017067 0.70 ALOX5 (0.42) TSHRMAPTNPC1RAB9ACES2
SCHEMBL24017068 0.70 ALOX5 (0.42) TSHRMAPTNPC1RAB9ACES2
SCHEMBL19354585 0.69 GAA (0.36) HPGDCYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30098237 0.68 ALOX5 (0.41) TSHRMAPTNPC1RAB9ACES2
SCHEMBL9472736 0.68 CYP2C19 (0.40) TSHRRAB9AALDH1A1

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
US-9765064-B1 Alpha-hydroxy-beta-azido-tetrazoles CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-19 US disclosed
US-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2017-09-14 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-20170260171-A1 ALPHA-HYDROXY-BETA-AZIDO-TETRAZOLES CYP8B1, HSD3B1, HSD17B1 TSHR 2419/4885MAPT 2393/4885NPC1 1093/4885

“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.