SCHEMBL3789429

SCHEMBL3789429

CCSc1cc(Cl)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 4/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
ALOX12 P18054 1/20 0.43
PDE7A Q13946 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
GAA P10253 1/20 0.38
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38

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
SCHEMBL3781267 0.83 SLC6A2 (0.51) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL5166565 0.81 MAPT (0.40) CYP3A4ALDH1A1ALOX15TSHRTDP1
SCHEMBL3795007 0.80 HPGD (0.41) CYP3A4ALDH1A1ALOX15SMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL8948328 0.79 GAA (0.43) CYP3A4ALDH1A1ALOX15TDP1HSD17B10
SCHEMBL14219137 0.79 NPC1 (0.55) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL30422063 0.78 CYP3A4 (0.52) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL3783594 0.78 CYP3A4 (0.52) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL11101935 0.78 ALDH1A1 (0.40) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL7453199 0.78 CYP3A4 (0.56) CYP3A4ALDH1A1ALOX15TSHRSMN1; SMN2
SCHEMBL23302326 0.78 SLC6A4 (0.41) HSD17B10KMT2AMEN1NPC1APOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2668186-B1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO LTD (KR) 2017-05-03 EP disclosed
CN-104379568-A Quinazolinedione derivative CHUGAI PHARMACEUTICAL CO LTD 2015-02-25 CN disclosed
US-8716309-B2 Pharmaceutical composition comprising pyridone derivatives SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-05-06 US disclosed
EP-2668186-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK Biopharmaceuticals Co., Ltd. (KR) 2013-12-04 EP disclosed
US-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-11-28 US disclosed
WO-2012102580-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES SK BIOPHARMACEUTICALS CO., LTD. (KR) 2012-08-02 WO disclosed
EP-1473332-B1 INK COMPOSITION AND METHOD OF INK-JET RECORDING FUJIFILM CORP (JP) 2011-05-25 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0212301-B1 PROCESS FOR THE PREPARATION OF 2-AMINOPHENYL THIOETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-24 EP disclosed
US-4808752-A REACTING 2-AMINOBENZOTHIAZOLES WITH ALKALI HYDROXIDES; ALKYLATING AND HYDROLYZING THE RESULTING MERCAPTOPHENYLUREA SALT HOECHST AKTIENGESELLSCHAFT (DE) 1989-02-28 US disclosed
EP-0212301-A2 Process for the preparation of 2-aminophenyl thioethers HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-04 EP 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 (2 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885ALDH1A1 4339/4885ALOX15 1941/4885
US-20130317059-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRIDONE DERIVATIVES PLPBP, PDXK, PIR CYP3A4 22/4885ALDH1A1 2259/4885ALOX15 1714/4885

“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.