SCHEMBL3071409

SCHEMBL3071409

CC(=O)N1CCc2cc(Br)cc([N+](=O)[O-])c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 3/20 0.48
GAA P10253 2/20 0.48
CASP6 P55212 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP2C19 P33261 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL13041061 0.86 HTR2A (0.56) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL30340615 0.85 ALDH1A1 (0.56) HTR2AHTR2CPOLBALDH1A1GAA
SCHEMBL12919994 0.85 HTR2A (0.53) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL11681398 0.84 CREBBP (0.43) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL8905312 0.84 HTR2A (0.53) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL8909599 0.83 HTR2A (0.52) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL19193260 0.82 HTR2A (0.51) HTR2AHTR2CNPSR1POLBALDH1A1
SCHEMBL8905316 0.80 HTR2A (0.49) HTR2AHTR2CPOLBALDH1A1GAA
SCHEMBL16284298 0.80 HTR2A (0.46) HTR2AHTR2CNPSR1ALDH1A1LMNA
SCHEMBL28348323 0.80 HTR2A (0.50) HTR2AHTR2CNPSR1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2011-02-03 US disclosed
US-20100324266-A1 Photocleavable Protecting Groups AFFYMETRIX, INC. (US) 2010-12-23 US disclosed
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS AFFYMETRIX, INC. (US) 2009-03-19 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
US-5550134-A ADMINISTERING TO A MAMMAL FROM A SERIES OF BENZOQUINOLIN-3-ONE COMPOUNDS ELI LILLY AND COMPANY (US) 1996-08-27 US disclosed
US-5512590-A PREVENTS DISORDER OF GABAERGIC TRANSMISSION SYNTHELABO (FR) 1996-04-30 US disclosed
EP-0682025-A1 5,6-dihydro-4H-imidazo 2',1':2,3 imidazo 4,5,1-ij quinoline and 4,5-dihydroimidazo 1,2-a pyrrolo 1,2,3-cd benzimidazol derivatives SYNTHELABO (FR) 1995-11-15 EP disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242912-A Treatment of autoimmune and rheumatic diseases and osteoporosis KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
WO-1993005043-A1 NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1993-03-18 WO disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP disclosed
EP-0434844-A1 NEW CYCLIC ANTHRANILIC ACID DERIVATIVE AND METHOD OF PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-07-03 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 (6 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 HTR2A 3900/4885HTR2C 4234/4885NPSR1 1290/4885
US-20100324266-A1 Photocleavable Protecting Groups POLL, PCNA, ERCC4 HTR2A 4378/4885HTR2C 4463/4885NPSR1 2958/4885
US-20090076295-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, PCNA, ERCC4 HTR2A 4378/4885HTR2C 4463/4885NPSR1 2958/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 HTR2A 3900/4885HTR2C 4234/4885NPSR1 1290/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 HTR2A 4343/4885HTR2C 4423/4885NPSR1 2221/4885
US-20110028350-A1 PHOTOCLEAVABLE PROTECTING GROUPS POLL, ERCC5, FBL HTR2A 4421/4885HTR2C 4388/4885NPSR1 3219/4885

“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.