SCHEMBL6252906

SCHEMBL6252906

CC(C)(C)c1ccc(N(C=O)c2nc(-c3ccc(Cl)cc3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
GCGR P47871 4/20 0.43
GIPR P48546 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM1 Q13255 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ABL1 P00519 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 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
SCHEMBL6253338 0.83 NPC1 (0.44) RAB9ANPC1GCGRGIPRMEN1
SCHEMBL6333998 0.76 CCR4 (0.42) GCGRGIPRMEN1KMT2ALMNA
SCHEMBL14409853 0.74 KMT2A (0.50) RAB9ANPC1L3MBTL1GRM1MEN1
SCHEMBL6229570 0.71 RAB9A (0.51) RAB9ANPC1TDP1GRM1MEN1
SCHEMBL6251628 0.71 RAB9A (0.45) PTGS2RAB9ANPC1GRM1MEN1
SCHEMBL1009194 0.70 RAB9A (0.68) PTGS2RAB9ANPC1TDP1L3MBTL1
SCHEMBL14755554 0.70 CCR4 (0.48) RAB9ANPC1GCGRGIPRTDP1
SCHEMBL6232784 0.69 RAB9A (0.49) RAB9ANPC1L3MBTL1GRM1MEN1
SCHEMBL3813568 0.69 TSHR (0.42) RAB9ANPC1TDP1MEN1KMT2A
SCHEMBL6252992 0.68 KMT2A (0.45) RAB9ANPC1L3MBTL1GRM1MEN1

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 PTGS2 2477/4885RAB9A 2138/4885NPC1 6/4885

“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.