SCHEMBL7955666

SCHEMBL7955666

O=[N+]([O-])c1ccc(OCCOCCCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 4/20 0.52
KCNH2 Q12809 4/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS2 P35354 2/20 0.48
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
HRH3 Q9Y5N1 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
SCHEMBL13264901 0.91 ALDH1A1 (0.62) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL8456712 0.91 ALDH1A1 (0.62) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL1735227 0.90 KCNH2 (0.55) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL2974984 0.86 DRD2 (0.59) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL6228523 0.86 MAPT (0.65) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL3534383 0.84 HRH3 (0.59) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL23412608 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL7162702 0.83 MAPT (0.56) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL4535882 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL11155200 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKCNH2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
EP-4232027-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME Yale University (US) 2023-08-30 EP disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
WO-2022093817-A1 MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS, AND METHODS OF MAKING AND USING SAME YALE UNIVERSITY (US) 2022-05-05 WO disclosed
US-6329523-B1 FOR ANTIBACTERIAL PHARMACEUTICAL USE, USEFUL FOR IDENTIFYING METAL CHELATING SPECIES FOR ?HEAVY METAL? THERAPY; IMAGING AGENTS ISIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
US-6197965-B1 POLYARYLALKYLAMINO-SUBSTITUED PYRIDINE DERIVATIVES; DRUGS, MEDICINE, DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2001-03-06 US disclosed
EP-0817787-A4 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2000-09-13 EP disclosed
WO-1998010286-A1 METHODS FOR PROCESSING CHEMICAL COMPOUNDS HAVING REACTIVE FUNCTIONAL GROUPS ISIS PHARMACEUTICALS, INC. (US) 1998-03-12 WO disclosed
EP-0817787-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1998-01-14 EP disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
EP-0501266-B1 Bifunctional reactive dyes BAYER AG (DE) 1995-06-21 EP disclosed
US-5256774-A Bifunctional reactive dyestuffs containing the 2-(N-substituted amino)-4-(N-phenylamino)-1,3,5-trlazinyl moiety BAYER AKTIENGESELLSCHAFT (DE) 1993-10-26 US disclosed
EP-0501266-A1 Bifunctional reactive dyes BAYER AG (DE) 1992-09-02 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 (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-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 ALDH1A1 2264/4885LMNA 3667/4885MAPT 371/4885

“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.