SCHEMBL4148228

SCHEMBL4148228

Cc1ccc(CCC=O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 1/20 0.45
THRB P10828 2/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.38
ADRA1D P25100 2/20 0.36
RIPK1 Q13546 1/20 0.36
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.33

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
SCHEMBL18160154 0.86 PRMT6 (0.41) PRMT6THRBTP53NPC1RAB9A
SCHEMBL23665620 0.79 PRMT6 (0.58) PRMT6THRBTP53NPC1RAB9A
SCHEMBL15330274 0.79 ALDH1A1 (0.36) TP53NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL1584459 0.78
SCHEMBL8645292 0.75 KDM4E (0.37) L3MBTL1ALDH1A1KDM4EGAADAO
SCHEMBL2557730 0.75 MMP8 (0.45) RAB9ASMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL28029259 0.75 PRMT6 (0.41) PRMT6THRBTP53NPC1RAB9A
SCHEMBL147077 0.73
SCHEMBL5264376 0.72 PRMT6 (0.63) PRMT6THRBTP53NPC1RAB9A
SCHEMBL16414421 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2848617-B1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-01-12 EP disclosed
CN-103387583-B Diaryl simultaneously [a, g] quinolizine class compound, its preparation method, pharmaceutical composition and its application 中国科学院上海药物研究所 2018-04-13 CN disclosed
US-9751882-B2 Diaryl[A, G]quinolizidine compound, preparation method therefor, pharmaceutical composition, and uses thereof KINGSOUND & PARTNER (CN) 2017-09-05 US disclosed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP disclosed
US-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2015-05-21 US disclosed
EP-2848617-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2015-03-18 EP disclosed
CN-103387583-A Diaryl [a, g] quinolizidine compound, preparation method thereof, pharmaceutical composition, and uses thereof SHANGHAI INST MATERIA MEDICA 2013-11-13 CN disclosed
US-8580811-B2 Androgen receptor modulator methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2013-11-12 US disclosed
US-20120165362-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS INCORPORATED 2012-06-28 US disclosed
US-8193357-B2 Androgen receptor modulator compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-10-22 US disclosed
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof MERCK & CO., INC. 2009-04-23 US disclosed
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED (US) 2009-01-29 US disclosed
EP-1891067-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 2008-02-27 EP disclosed
WO-2006138347-A2 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2006-12-28 WO disclosed
US-5808101-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-09-15 US disclosed
US-5710288-A 1,3-benzodioxole and 1,2-dialkoxybenzene derivatives as ocular hypotensive agents ALLERGAN (US) 1998-01-20 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 (5 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-20150141419-A1 DIARYL[A, G]QUINOLIZIDINE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF HTR5A, HTR1F, QDPR PRMT6 4475/4885THRB 1572/4885TP53 3950/4885
US-20090105234-A1 EP4 Receptor Agonist, Compositions and Methods Thereof PTGER4, PTGER1, PTGER3 PRMT6 4284/4885THRB 1132/4885TP53 4507/4885
US-20090030027-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PRMT6 1239/4885THRB 146/4885TP53 1401/4885
US-20120165362-A1 Androgen receptor modulator compounds and methods AR, NR5A1, ESRRA PRMT6 1239/4885THRB 146/4885TP53 1401/4885
US-20090264455-A9 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA PRMT6 1239/4885THRB 146/4885TP53 1401/4885

“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.