SCHEMBL6770104

SCHEMBL6770104

N#CCCC[N]c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
LTB4R Q15722 1/20 0.33
MIF P14174 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL6237735 0.87 KMT2A (0.45) KMT2AALDH1A1MEN1MIFHTT
SCHEMBL8029164 0.74 ALDH1A1 (0.50) KMT2AALDH1A1MEN1MIFHTT
SCHEMBL8852224 0.72 MIF (0.39) KMT2AATML3MBTL1ALDH1A1MEN1
SCHEMBL49576 0.71 LTA4H (0.38) KMT2AALDH1A1MEN1
SCHEMBL10502034 0.71 ALDH1A1 (0.38) KMT2AALDH1A1MEN1HTTTSHR
SCHEMBL9794657 0.71 ALDH1A1 (0.33) ALDH1A1
SCHEMBL12943093 0.71 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MIFHTT
SCHEMBL28495899 0.71 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MIFHTT
SCHEMBL8974972 0.71 ALDH1A1 (0.37) KMT2AL3MBTL1ALDH1A1MEN1HTT
SCHEMBL17985089 0.71 KMT2A (0.35) KMT2AATML3MBTL1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710089-B2 ATHEROSCLEROSIS; CARDIOVASCULAR DISORDERS; ANTICHOLESTEROL AGENTS PHARMACIA CORPORATION 2004-03-23 US disclosed
US-6696472-B2 TREATING ATHEROSCLEROSIS AND OTHER CORONARY ARTERY DISEASES PHARMACIA CORPORATION 2004-02-24 US disclosed
US-6677382-B1 HALOGENATED OXYAMINES, USED AS ENZYME INHIBITORS FOR PROPHYLAXIS OF ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS, AND AS ANTILIPEMIC AGENTS PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US disclosed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US disclosed
US-6458849-B1 METHOD OF TREATING OR PREVENTING A CEIP-MEDIATED DISORDER IN A SUBJECT BY ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A COMPOUND FOR STROKES G.D. SEARLE & CO. 2002-10-01 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-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KMT2A 2608/4885ATM 3912/4885L3MBTL1 1616/4885
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, MTTP, LCAT KMT2A 2608/4885ATM 3912/4885L3MBTL1 1616/4885

“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.