SCHEMBL290287

SCHEMBL290287

O=C(OCc1cccnc1)c1cccnc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.85
KMT2A Q03164 4/20 0.85
LMNA P02545 4/20 0.85
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 1/20 0.64
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
MAPT P10636 1/20 0.55
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.55
CYP17A1 P05093 1/20 0.52
CYP19A1 P11511 1/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL27597233 0.92 KMT2A (0.82) TDP1KMT2ALMNAALDH1A1KDM4E
SCHEMBL30335693 0.92 KMT2A (0.82) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL24600 0.92 LMNA (1.00) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL29394048 0.92 LMNA (1.00) TDP1KMT2ALMNAALDH1A1KDM4E
SCHEMBL22946269 0.92 KMT2A (0.88) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL29080664 0.90 LMNA (0.97) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL28041943 0.90 LMNA (0.97) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL30432197 0.88 TDP1 (0.91) TDP1KMT2ALMNAALDH1A1KDM4E
Benzyl Nicotinate SCHEMBL22654538 0.85 LMNA (0.86) TDP1KMT2ALMNAALDH1A1KDM4E
SCHEMBL14937604 0.84 KMT2A (0.76) TDP1KMT2ALMNAALDH1A1KDM4E

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273480-A1 INOSITOL NICOTINATE CRYSTALLINE FORM A AND PREPARATION METHOD THEREFOR WEIFANG SHENGYU PHARMA CO., LTD. (CN) 2018-09-27 US claimed
EP-3354642-A1 INOSITOL NICOTINATE CRYSTALLINE FORM A AND PREPARATION METHOD THEREFOR Weifang Shengyu Pharma Co., Ltd. (CN) 2018-08-01 EP claimed
US-4115392-A ANTI-HYPERLIPEMIC AGENT HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1978-09-19 US claimed
US-10370334-B2 Inositol nicotinate crystalline form A and preparation method therefor WEIFANG SHENGYU PHARMA CO., LTD. (CN) 2019-08-06 US disclosed
US-20180273480-A1 INOSITOL NICOTINATE CRYSTALLINE FORM A AND PREPARATION METHOD THEREFOR WEIFANG SHENGYU PHARMA CO., LTD. (CN) 2018-09-27 US disclosed
EP-3354642-A1 INOSITOL NICOTINATE CRYSTALLINE FORM A AND PREPARATION METHOD THEREFOR Weifang Shengyu Pharma Co., Ltd. (CN) 2018-08-01 EP disclosed
EP-2427194-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-03-01 US disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 EP disclosed
WO-2011137054-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
US-7902356-B2 Thiazolopyridinone derivates as MCH receptor antagonists ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
EP-2274296-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-19 EP disclosed
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-09-09 US disclosed
EP-1079832-B1 USE OF VITAMIN PP COMPOUNDS KLINGE CO CHEM PHARM FAB (DE) 2005-11-30 EP disclosed
EP-1079832-A1 USE OF VITAMIN PP COMPOUNDS Klinge Pharma GmbH (DE) 2001-03-07 EP disclosed
WO-1999053920-A1 USE OF VITAMIN PP COMPOUNDS KLINGE PHARMA GMBH (DE) 1999-10-28 WO disclosed
US-4795638-A RUBEFACIENT, PLANT EXTRACT, POLYSILOXANE L'OREAL (FR) 1989-01-03 US disclosed
US-4115392-A ANTI-HYPERLIPEMIC AGENT HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1978-09-19 US disclosed
US-4115392-A ANTI-HYPERLIPEMIC AGENT HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1978-09-19 US disclosed
US-4115392-A ANTI-HYPERLIPEMIC AGENT HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1978-09-19 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 (4 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-20180273480-A1 INOSITOL NICOTINATE CRYSTALLINE FORM A AND PREPARATION METHOD THEREFOR SLC5A11, ITPA, NAPRT TDP1 3861/4885KMT2A 3013/4885LMNA 1416/4885
US-10370334-B2 Inositol nicotinate crystalline form A and preparation method therefor SLC5A11, ITPA, NAPRT TDP1 3861/4885KMT2A 3013/4885LMNA 1416/4885
US-20100227896-A1 USE OF VITAMIN PP COMPOUNDS PNPO, NAMPT, NAPRT TDP1 1717/4885KMT2A 2179/4885LMNA 3496/4885
US-20120053181-A1 PYRROLIDINE-DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 TDP1 3045/4885KMT2A 4134/4885LMNA 1826/4885

“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.