SCHEMBL6229797

SCHEMBL6229797

O=C(c1ccc(Br)cc1)N(CCc1ccccc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.56
LPAR5 Q9H1C0 7/20 0.56
RCE1 Q9Y256 1/20 0.56
HDAC1 Q13547 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LIMK1 P53667 1/20 0.50
LIMK2 P53671 1/20 0.50
MLYCD O95822 1/20 0.49

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
SCHEMBL16507094 0.81 LPAR1 (0.60) LPAR1LPAR5RCE1HDAC1HDAC6
SCHEMBL4467147 0.80 RCE1 (0.52) LPAR1LPAR5RCE1HDAC1HDAC6
SCHEMBL1901574 0.80 RCE1 (0.52) LPAR1LPAR5RCE1HDAC1HDAC6
SCHEMBL29190281 0.80 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL15111089 0.78 RCE1 (0.68) LPAR1LPAR5RCE1HDAC1HDAC6
SCHEMBL31035978 0.78 MEN1 (0.54) HDAC1HDAC6HDAC3HDAC7HDAC10
SCHEMBL709230 0.77 LPAR1 (0.80) LPAR1
SCHEMBL6718505 0.76 MEN1 (0.43) HDAC1HDAC6HDAC8MEN1KMT2A
SCHEMBL10399486 0.76 RCE1 (0.52) LPAR1LPAR5RCE1HDAC1HDAC6
SCHEMBL3054586 0.74 RCE1 (0.60) LPAR1LPAR5RCE1MEN1KMT2A

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 LPAR1 1141/4885LPAR5 1578/4885RCE1 846/4885

“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.