SCHEMBL5547501

SCHEMBL5547501

[c]1cc2ccccc2n1-c1nccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
MPI P34949 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
SLC6A7 Q99884 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL810754 0.71 KDM4E (0.37) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL2706154 0.70 LMNA (0.47) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL6471018 0.70 CYP2A6 (0.37)
SCHEMBL4888542 0.69 CYP17A1 (0.50) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL5759519 0.68 NTRK1 (0.35) RAB9APDE10A
SCHEMBL5750912 0.68 HTR2C (0.49) KDM4EALDH1A1MAPTKMT2ANPSR1
SCHEMBL718221 0.67 KDM4E (0.37) KDM4EALDH1A1KMT2ALMNA
SCHEMBL4870334 0.67 KDM4E (0.49) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL11097221 0.64 CSNK1A1 (0.61) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL10981062 0.64 MAPK1 (0.54) HSD17B10KDM4EALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108774248-A Method for preparing thiazoloquinazolinone derivative 苏州大学 2018-11-09 CN claimed
CN-108774248-A Method for preparing thiazoloquinazolinone derivative 苏州大学 2018-11-09 CN disclosed
CN-108774248-A Method for preparing thiazoloquinazolinone derivative 苏州大学 2018-11-09 CN disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 US disclosed
US-3964894-A 1-(FURYL OR THIAZOLYL)CARBONYL-2-METHYL-5-METHOXY-INDOL-3-YL ACETIC ACID CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1976-06-22 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-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG HSD17B10 687/4885KDM4E 1998/4885ALDH1A1 627/4885

“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.