SCHEMBL3836058

SCHEMBL3836058

O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
LMNA P02545 3/20 0.68
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 4/20 0.67
MAPT P10636 5/20 0.64
RAB9A P51151 2/20 0.64
SLC6A9 P48067 2/20 0.61
SLC6A5 Q9Y345 2/20 0.61
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.57
IDE P14735 1/20 0.57
TSHR P16473 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL34472401 0.96 ALDH1A1 (0.64) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL22766914 0.89 SMN1; SMN2 (0.73) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL3427781 0.87 MAPT (0.72) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL4029063 0.86 MAPT (0.70) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL22405638 0.85 ALDH1A1 (0.60) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL9760661 0.85 MAPT (0.77) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL894767 0.84 SMN1; SMN2 (0.67) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL22405663 0.84 RXFP1 (0.57) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL30309424 0.84 HRH4 (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL34464817 0.84 SMN1; SMN2 (0.67) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS SOUTHERN RESEARCH INSTITUTE 2020-12-10 US disclosed
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
CN-1246847-A Nitrogen containing heteroaromatics as factor Xa inhibitors DU PONT MERCK PHARMA (US) 2000-03-08 CN disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (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-20200385406-A1 SUBSTITUTED HETEROCYCLIC-PYRIDINONES AS HIV-1 NEF-HCK INHIBITORS HCK, PDXK, NADK ALDH1A1 3458/4885LMNA 1756/4885KMT2A 4446/4885

“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.