SCHEMBL3603550

SCHEMBL3603550

ClCc1cccnc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
MAPK14 Q16539 1/20 0.47
ABCB1 P08183 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
POLB P06746 2/20 0.44
CYP3A4 P08684 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
CNR2 P34972 4/20 0.42
CNR1 P21554 3/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL6650607 0.84 LTA4H (0.49) LTA4HMAPK14ABCB1L3MBTL1POLB
SCHEMBL25186971 0.83 NPC1 (0.54) ABCB1POLBNPC1RAB9ACNR2
SCHEMBL31051632 0.83 NPC1 (0.54) ABCB1POLBNPC1RAB9ACNR2
SCHEMBL13443127 0.83 MEN1 (0.50) LTA4HMAPK14ABCB1L3MBTL1POLB
SCHEMBL4031832 0.79 LTA4H (0.44) LTA4HMAPK14ABCB1L3MBTL1CYP3A4
SCHEMBL2960548 0.78 SLC13A5 (0.49) MEN1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL13443135 0.78 LTA4H (0.43) LTA4HMAPK14ABCB1L3MBTL1POLB
SCHEMBL20817947 0.77 KMT2A (0.51) L3MBTL1MEN1NPC1RAB9AKMT2A
SCHEMBL24215198 0.77 L3MBTL1 (0.53) LTA4HMAPK14ABCB1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL5900883 0.77 SLC13A5 (0.48) MEN1RAB9AKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-7674825-B2 Dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT (DE) 2010-03-09 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
US-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AKTIENGESELLSCHAFT 2008-03-06 US disclosed
EP-1216223-B1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-11-09 EP disclosed
EP-1216223-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES Bayer Aktiengesellschaft (DE) 2002-06-26 EP disclosed
WO-2001019778-A1 NOVEL DICARBOXYLIC ACID DERIVATIVES WITH PHARMACEUTICAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 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-20080058314-A1 Novel dicarboxylic acid derivatives with pharmaceutical properties PC, GOT2, SDHA LTA4H 2385/4885MAPK14 2841/4885ABCB1 610/4885

“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.