SCHEMBL3559196

SCHEMBL3559196

O=C(OCC(Cl)(Cl)Cl)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
BCL9 O00512 1/20 0.50
CTNNB1 P35222 1/20 0.50
GAA P10253 1/20 0.49
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MGLL Q99685 2/20 0.45
SRD5A2 P31213 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 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
SCHEMBL5489962 0.88 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL2597473 0.85 HTR2A (0.56) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL6819876 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL24606 0.83 HTR2A (0.57) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL18757845 0.82 HTR2A (0.54) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL21097661 0.82 HTR2A (0.51) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL21097318 0.82 HTR2A (0.54) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL409598 0.82 HTR2A (0.59) HTR2ABCL9CTNNB1GAAPTPN7
SCHEMBL2597423 0.81 BCL9 (0.54) HTR2ABCL9CTNNB1GAAKMT2A
SCHEMBL5526504 0.81 HTR2A (0.58) HTR2ABCL9CTNNB1GAAPTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242059-B1 NOVEL PRODRUGS FOR ANTIMICROBIAL AMIDINES UNIV NORTH CAROLINA (US) 2007-03-21 EP claimed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed
WO-2004002985-A1 PEPTIDIC THROMBIN INHIBITOR COMPOUND LG LIFE SCIENCES LTD. (KR) 2004-01-08 WO disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed
US-4199572-A DERIVATIVES OF SISOMICINS BAYER AKTIENGESELLSCHAFT (DE) 1980-04-22 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 (1 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-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 HTR2A 4454/4885BCL9 2727/4885CTNNB1 4793/4885

“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.