SCHEMBL6255097

SCHEMBL6255097

CCc1c(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)C(C)C2)cnn1-c1nc(-c2ccc(OC)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 2/20 0.51
GHSR Q92847 9/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
KCNQ1 P51787 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6225996 0.89 ALDH1A1 (0.46) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6251676 0.87 RAB9A (0.46) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6251735 0.85 PTGER4 (0.43) MAPTLMNASMN1; SMN2MAPK1GHSR
SCHEMBL6256256 0.81 LMNA (0.42) MAPTLMNASMN1; SMN2MAPK1GHSR
SCHEMBL6249260 0.80 MEN1 (0.42) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6249552 0.79 NPC1 (0.41) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6251489 0.77 RAB9A (0.70) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6337679 0.76 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL19284240 0.71 GHSR (0.64) ALDH1A1LMNASMN1; SMN2GHSRHTT
SCHEMBL14013761 0.68 ALDH1A1 (0.66) ALDH1A1MAPTLMNAMEN1KMT2A

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 ALDH1A1 399/4885MAPT 4100/4885LMNA 1603/4885

“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.