SCHEMBL6905792

SCHEMBL6905792

Nc1ccccc1N(C=O)c1cccc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.44
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 3/20 0.38
POLB P06746 2/20 0.38
MAPK14 Q16539 1/20 0.38
ERN1 O75460 2/20 0.37
CYP3A4 P08684 1/20 0.36
NR4A2 P43354 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL6903434 0.79 ALDH1A1 (0.48) KMT2ALMNAKDM4EPOLBCYP3A4
SCHEMBL17577879 0.77 MAPT (0.44) NCF1MAPTKMT2ALMNAMEN1
SCHEMBL890760 0.74 NOS3 (0.35) MAPTKMT2AMEN1HTTBLM
SCHEMBL29291013 0.74 KDM4E (0.44) MAPTKMT2ALMNAMEN1HTT
SCHEMBL6902704 0.73 CYP3A4 (0.55) MAPTKMT2ALMNAMEN1HTT
SCHEMBL115674 0.72 NCF1 (0.72) NCF1MAPTKMT2ALMNAMEN1
SCHEMBL29961464 0.72 NCF1 (0.72) NCF1MAPTKMT2ALMNAMEN1
Ammonia Solution, Strong SCHEMBL14322575 0.70 NCF1 (0.69) NCF1MAPTKMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL29862816 0.70 NCF1 (0.69) NCF1MAPTKMT2ALMNAMEN1
Hydrochloric Acid SCHEMBL6119015 0.70 NCF1 (0.69) NCF1MAPTKMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379517-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-14 EP claimed
US-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US claimed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 US claimed
WO-2002046181-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO claimed
EP-1379517-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-14 EP disclosed
US-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 US disclosed
WO-2002046181-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20020111364-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 NCF1 662/4885MAPT 4100/4885KMT2A 3796/4885

“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.