SCHEMBL5757472

SCHEMBL5757472

N#CC(Cl)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ACP3 P15309 1/20 0.48
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
VCAM1 P19320 1/20 0.42
GAA P10253 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
SCHEMBL28757603 1.00 TSHR (0.52) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL3642758 0.80 TSHR (0.61) TSHRLMNAALDH1A1TDP1ACP3
SCHEMBL8870718 0.80 KMT2A (0.54) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL741878 0.80 TSHR (0.52) TSHRLMNAALDH1A1KDM4EACP3
SCHEMBL3845818 0.80 KMT2A (0.54) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL12395375 0.80 TSHR (0.52) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL7734153 0.80 TSHR (0.52) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL11797282 0.78 TSHR (0.53) TSHRLMNAALDH1A1TDP1ACP3
SCHEMBL7295540 0.78 TSHR (0.48) TSHRLMNAALDH1A1TDP1KDM4E
SCHEMBL11707796 0.77 TSHR (0.57) TSHRLMNAALDH1A1TDP1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1863774-B Compounds and compositions as protein kinase inhibitors IRM LLC 2010-12-15 CN disclosed
CN-1863774-A Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2006-11-15 CN disclosed
EP-1140828-B1 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LTD (GB) 2006-08-09 EP disclosed
US-7049444-B2 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. (US) 2006-05-23 US disclosed
CN-1192021-C 3-azabicyclo [3.1.0] hexane derivatives as opioid receptor ligands PFIZER LTD (US) 2005-03-09 CN disclosed
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER, INC. (US) 2003-01-16 US disclosed
US-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy PFIZER INC. 2002-06-13 US disclosed
CN-1331679-A 3-azabicyclo [3.1.0] hexane derivatives as opiate receptors ligands PFIZER LTD (US) 2002-01-16 CN disclosed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP disclosed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
US-4459296-A HYPOTENSIVE DELALANDE S.A. (FR) 1984-07-10 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 (2 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-20020072616-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 TSHR 3143/4885LMNA 3931/4885ALDH1A1 70/4885
US-20030013875-A1 3-azabicyclo[3.1.0]hexane derivatives useful in therapy OPRM1, OPRK1, OPRD1 TSHR 3143/4885LMNA 3931/4885ALDH1A1 70/4885

“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.