SCHEMBL6253202

SCHEMBL6253202

CCOC(=O)C1=C(NCCc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRB P10828 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 2/20 0.39
P2RY12 Q9H244 1/20 0.39
AR P10275 1/20 0.39
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38

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
SCHEMBL6333904 0.88 MAPT (0.43) RAB9AMAPTALDH1A1CHRM5CHRM1
SCHEMBL6254042 0.87 KMT2A (0.51) NPC1RAB9AALDH1A1PKMCHRM5
SCHEMBL6257181 0.81 ALDH1A1 (0.48) NPC1RAB9AMAPTALDH1A1THRB
SCHEMBL6281284 0.78 GRM1 (0.44) NPC1RAB9AMAPTALDH1A1CHRM5
SCHEMBL6253821 0.78 ALDH1A1 (0.43) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL6253517 0.77 MEN1 (0.44) NPC1RAB9AMAPTALDH1A1CHRM5
SCHEMBL6251429 0.76 KMT2A (0.48) NPC1RAB9AMAPTALDH1A1CHRM5
SCHEMBL6334402 0.75 MAPT (0.46) MAPTALDH1A1CHRM5CHRM1POLB
SCHEMBL6257706 0.75 MEN1 (0.46) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL8490992 0.69 TDP1 (0.70) MAPTALDH1A1PKMTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 NPC1 6/4885RAB9A 2138/4885MAPT 4100/4885

“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.