SCHEMBL1829314

SCHEMBL1829314

NC(=S)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
IDO1 P14902 4/20 0.54
TSHR P16473 2/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
MAPK8 P45983 1/20 0.48

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
SCHEMBL2673969 0.82 LOXL2 (0.59) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL4833242 0.81 TSHR (0.59) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL12953925 0.81 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL11771000 0.81 IDO1 (0.57) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL12415809 0.81 IDO1 (0.64) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL6659092 0.81 LOXL2 (0.57) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL7693596 0.81 TSHR (0.53) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL11383097 0.81 TSHR (0.53) LOXL2IDO1TSHRALDH1A1MAPT
SCHEMBL12415768 0.81 IDO1 (0.64) LOXL2IDO1TSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL1008784 0.79 IDO1 (0.65) LOXL2IDO1TSHRALDH1A1MAPT

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
US-20170020900-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF NIH - DEITR 2017-01-26 US disclosed
CN-102171190-A Insecticidal benzenedicarboxamide derivative BAYER CROPSCIENCE AG 2011-08-31 CN disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 WO disclosed
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 WO disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 WO 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 (7 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 LOXL2 552/4885IDO1 1066/4885TSHR 3417/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 LOXL2 531/4885IDO1 1241/4885TSHR 3309/4885
US-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LOXL2 1834/4885IDO1 2196/4885TSHR 1173/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 LOXL2 1834/4885IDO1 2196/4885TSHR 1173/4885
US-20170020900-A1 METHODS FOR SCREENING ANTIMICROBIAL AND ANTIVIRAL COMPOUNDS AND USES THEREOF ZC3HAV1, MAVS, EIF2AK2 LOXL2 1988/4885IDO1 1611/4885TSHR 4677/4885
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 LOXL2 3632/4885IDO1 913/4885TSHR 2047/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 LOXL2 536/4885IDO1 882/4885TSHR 3192/4885

“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.