SCHEMBL2522668

SCHEMBL2522668

Oc1ccc(CNCCCNCc2ccc(O)c3ncccc23)c2cccnc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.70
CYP1A2 P05177 1/20 0.70
CYP2D6 P10635 1/20 0.70
HIF1A Q16665 1/20 0.70
MMP2 P08253 2/20 0.68
MMP9 P14780 2/20 0.68
KDM4E B2RXH2 12/20 0.67
L3MBTL1 Q9Y468 7/20 0.64
LMNA P02545 6/20 0.64
HTT P42858 4/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
GAA P10253 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 5/20 0.63
ALOX12 P18054 5/20 0.63
MAPT P10636 4/20 0.63
USP2 O75604 3/20 0.63
TDP1 Q9NUW8 3/20 0.63

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
SCHEMBL5327074 0.91 KDM4E (0.67) ALOX15CYP1A2CYP2D6HIF1AMMP2
SCHEMBL2518549 0.85 ALOX15 (0.89) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL2514842 0.82 ALOX15 (1.00) ALOX15CYP1A2CYP2D6HIF1AMMP2
SCHEMBL15217627 0.81 KDM4E (0.68) ALOX15CYP1A2CYP2D6HIF1AKDM4E
Hydrochloric Acid SCHEMBL2516502 0.81 ALOX15 (0.97) ALOX15CYP1A2CYP2D6HIF1AMMP2
SCHEMBL112199 0.81 MAOA (0.80) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL17223775 0.80 L3MBTL1 (0.58) ALOX15CYP1A2CYP2D6HIF1AMMP2
SCHEMBL2521725 0.79 ALOX15 (0.78) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL9177673 0.79 KDM4E (0.79) ALOX15CYP1A2CYP2D6HIF1AKDM4E
SCHEMBL1782934 0.79 KDM4E (1.00) ALOX15CYP1A2CYP2D6HIF1AKDM4E

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
US-8324243-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2012-12-04 US claimed
US-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2010-05-13 US claimed
US-8614230-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2013-12-24 US disclosed
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2013-04-25 US disclosed
US-8324243-B2 Derivatives of the aminated hydroxyquinoline class for treating cancers BIOPHARMED (FR) 2012-12-04 US disclosed
EP-2382193-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE Biopharmed (FR) 2011-11-02 EP disclosed
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2011-10-13 US disclosed
WO-2010073235-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE BIOPHARMED (FR) 2010-07-01 WO disclosed
US-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers BIOPHARMED (FR) 2010-05-13 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 (3 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-20100120856-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers HNMT, HRAS, NNMT ALOX15 2737/4885CYP1A2 1405/4885CYP2D6 640/4885
US-20130102630-A1 Derivatives of the Aminated Hydroxyquinoline Class For Treating Cancers HNMT, NQO1, NQO2 ALOX15 1542/4885CYP1A2 1392/4885CYP2D6 841/4885
US-20110251238-A1 PPAR AGONIST COMPOSITIONS AND METHODS OF USE PPARA, PPARG, PPARD ALOX15 659/4885CYP1A2 737/4885CYP2D6 1188/4885

“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.