SCHEMBL1556923

SCHEMBL1556923

Nc1nc(CON2C(=O)c3ccccc3C2=O)cs1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NOS1 P29475 1/20 0.44
GAA P10253 1/20 0.44
MPL P40238 1/20 0.42
ATM Q13315 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2481128 0.84 MEN1 (0.47) MAPTALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL20987960 0.80 ALDH1A1 (0.63) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL3147864 0.78 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13477405 0.77 MEN1 (0.48) MAPTALDH1A1HTTMEN1KMT2A
Bromide SCHEMBL5897641 0.77 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13140638 0.76 NPC1 (0.61) MAPTALDH1A1HTTNPC1RAB9A
SCHEMBL29451720 0.75 PKM (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4604023 0.75 PKM (0.70) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9813248 0.75 MEN1 (0.44) MAPTALDH1A1HTTNPC1RAB9A
Hydrochloric Acid SCHEMBL9381859 0.74 PKM (0.68) MAPTALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed
US-8614217-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-12-24 US disclosed
US-8580799-B2 Fungicide hydroximoyl-heterocycles derivatives BAYER CROPSCIENCE AG (DE) 2013-11-12 US disclosed
US-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
EP-2376464-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110201613-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-08-18 US disclosed
EP-2303864-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES Bayer CropScience AG (DE) 2011-04-06 EP disclosed
WO-2010066697-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-06-17 WO disclosed
WO-2010000841-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2010-01-07 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 (6 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MAPT 2901/4885ALDH1A1 4446/4885HTT 1050/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MAPT 2901/4885ALDH1A1 4446/4885HTT 1050/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MAPT 2901/4885ALDH1A1 4446/4885HTT 1050/4885
US-20110201613-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES HPD, HAAO, CYP8B1 MAPT 3187/4885ALDH1A1 2708/4885HTT 222/4885
US-20110294829-A1 FUNGICIDE HYDROXIMOYL-HETEROCYCLES DERIVATIVES HAAO, HPD, HAO1 MAPT 3696/4885ALDH1A1 1606/4885HTT 121/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MAPT 2901/4885ALDH1A1 4446/4885HTT 1050/4885

“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.