SCHEMBL5099550

SCHEMBL5099550

COc1ccc(Cl)cc1-c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.56
PDE4B Q07343 2/20 0.56
PTGES2 Q9H7Z7 1/20 0.50
ERN1 O75460 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK10 P53779 3/20 0.48
RORC P51449 2/20 0.47
RORB Q92753 2/20 0.47
AGPAT2 O15120 1/20 0.47
CTSA P10619 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FYN P06241 2/20 0.46
MAPK9 P45984 1/20 0.46
MAPK14 Q16539 1/20 0.46

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
SCHEMBL3787052 0.88 PDE4B (0.52) PDE4DPDE4BNPC1MAPTTSHR
SCHEMBL24518295 0.88 PTGES2 (0.47) PDE4DPDE4BPTGES2ERN1NPC1
SCHEMBL29634149 0.87 PTGDR2 (0.57) PDE4DPTGES2ERN1TSHRSMN1; SMN2
SCHEMBL3759371 0.87 PTGDR2 (0.57) PDE4DPTGES2ERN1TSHRSMN1; SMN2
SCHEMBL29634014 0.86 PDE4B (0.51) PDE4DPDE4BNPC1MAPTTSHR
SCHEMBL3796770 0.86 PDE4B (0.51) PDE4DPDE4BNPC1MAPTTSHR
SCHEMBL29633976 0.86 PDE4B (0.51) PDE4DPDE4BPTGES2ERN1NPC1
SCHEMBL3841461 0.86 PDE4D (0.52) PDE4DPDE4BPTGES2NPC1MAPT
SCHEMBL8066084 0.86 PDE4B (0.51) PDE4DPDE4BPTGES2NPC1MAPT
SCHEMBL3797410 0.85 HTR7 (0.55) PDE4DPDE4BMAPK10RORCRORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323570-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2008-01-29 US disclosed
US-7211595-B2 Farnesyltransferase inhibitors ABBOTT LABORATORIES (US) 2007-05-01 US disclosed
US-20060264476-A1 Farnesyltransferase Inhibitors ABBVIE INC. 2006-11-23 US disclosed
EP-1339695-B1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LAB (US) 2006-04-19 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
US-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents ABBOTT LABORATORIES 2002-08-22 US 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 (3 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-20020115640-A1 Such as 4-(((6-chloro-2-(3-chlorophenyl)-3-pyridinyl) methoxy)(1-methyl-1H-imidazol-5-yl)methyl)benzonitrile; anticancer agents FNTB, FNTA, ACAT2 PDE4D 4241/4885PDE4B 3120/4885PTGES2 3860/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS PDE4D 3750/4885PDE4B 2527/4885PTGES2 1935/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS PDE4D 3965/4885PDE4B 2885/4885PTGES2 1928/4885

“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.