SCHEMBL3844846

SCHEMBL3844846

CC(C)c1cccc([N+](=O)[O-])c1CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 3/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL3840632 0.87 TDP1 (0.42) TDP1GABRA1GABRG2GABRB3TSHR
SCHEMBL5550682 0.82 TDP1 (0.54) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL3842621 0.78 GABRA1 (0.60) GABRA1GABRG2GABRB3TSHRSMN1; SMN2
SCHEMBL9203388 0.77 TSHR (0.58) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL3847746 0.77 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL30800630 0.76 ALDH1A1 (0.56) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL254406 0.76 ALDH1A1 (0.56) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL13902996 0.75 TDP1 (0.50) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL11795966 0.75 TSHR (0.58) TDP1TSHRSMN1; SMN2GPR35ALDH1A1
SCHEMBL12767842 0.75 TDP1 (0.67) TDP1TSHRSMN1; SMN2GPR35ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
EP-1477186-B1 ANTIPRURITICS SHIONOGI & CO (JP) 2009-11-11 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-7420053-B2 2-imino-1,3-thiazine derivatives SHIONOGI & CO., LTD. (JP) 2008-09-02 US disclosed
EP-1375489-B1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO (JP) 2008-08-20 EP disclosed
EP-1219612-B1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO (JP) 2008-04-23 EP disclosed
US-20070088020-A1 2-imino-1,3-thiazine derivatives HANASAKI KOJI 2007-04-19 US disclosed
CN-1301981-C Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO (JP) 2007-02-28 CN disclosed
US-7183275-B2 2-imino-1,3-thiazine derivatives SHIONOGI CO., LTD. (JP) 2007-02-27 US disclosed
CN-1247553-C 2-imino-1,3-thiazine derivs. SHIONOGI & CO (JP) 2006-03-29 CN disclosed
US-6916806-B2 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2005-07-12 US disclosed
US-20050124617-A1 2-Imino-1,3-thiazine derivatives HANASAKI KOJI (JP) 2005-06-09 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6818640-B1 BIND SELECTIVELY TO CANNABINOID 2 RECEPTOR; ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2004-11-16 US disclosed
CN-1514831-A Medicinal composition containing 1,3-thiazine derivative ��Ұ����ҩ��ʽ���� 2004-07-21 CN disclosed
US-20040116326-A1 Medicinal composition containing 1,3-thiazine derivative SHIONOGI & CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375489-A1 MEDICINAL COMPOSITION CONTAINING 1,3-THIAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2004-01-02 EP disclosed
CN-1387519-A 2-imino-1, 3-thiazine derivatives SHIONOGI & CO (JP) 2002-12-25 CN disclosed
EP-1219612-A1 2-IMINO-1,3-THIAZINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 2002-07-03 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 (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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 TDP1 4762/4885GABRA1 237/4885GABRG2 317/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 TDP1 4657/4885GABRA1 326/4885GABRG2 508/4885
US-20050124617-A1 2-Imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TDP1 3661/4885GABRA1 260/4885GABRG2 603/4885
US-20070088020-A1 2-imino-1,3-thiazine derivatives CNR2, CNR1, HTR2C TDP1 3661/4885GABRA1 260/4885GABRG2 603/4885

“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.