SCHEMBL5249317

SCHEMBL5249317

[CH2]c1ccc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.62
▸ CYP3A4 P08684 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.50
▸ NCEH1 Q6PIU2 1/20 0.48
▸ HPRT1 P00492 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.46
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ S100A4 P26447 1/20 0.44
▸ HNF4A P41235 3/20 0.44
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ RXRA P19793 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 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
SCHEMBL187452 0.78 TSHR (0.65) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL3071816 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL1710125 0.77 TSHR (1.00) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL2026504 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL15617271 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL3699674 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL10871323 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL767775 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL7936527 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1
SCHEMBL17987525 0.77 TSHR (0.62) TSHRCYP3A4ALDH1A1NCEH1HPRT1

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
CN-103201270-A P2x4 receptor antagonist NIPPON CHEMIPHAR CO 2013-07-10 — — CN disclosed
CN-101541768-A P2X4Receptor antagonists NIPPON CHEMIPHAR CO (JP) 2009-09-23 — — CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 — — EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 — — CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 — — US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 — — US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 — — US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 — — EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 — — US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 — — US disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 — — EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 — — US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 — — EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 — — EP disclosed
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 — — US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 — — US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 — — US disclosed
EP-0046083-B1 PHOTOLABILE BLOCKED SURFACTANTS AND COMPOSITIONS CONTAINING THE SAME MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-10-16 — — EP disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 — — US disclosed
EP-0046083-A2 Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-02-17 — — 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 (3 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B TSHR 598/4885CYP3A4 2846/4885ALDH1A1 871/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A TSHR 378/4885CYP3A4 2260/4885ALDH1A1 928/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 TSHR 1999/4885CYP3A4 83/4885ALDH1A1 507/4885

“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.

Send feedback