SCHEMBL5099580

SCHEMBL5099580

N#Cc1ccc(O)c(-c2cccc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
XDH P47989 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
EGFR P00533 3/20 0.44
MCL1 Q07820 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
AR P10275 1/20 0.43
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
CYP1A2 P05177 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
FNTA P49354 1/20 0.40

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
SCHEMBL6269924 0.83 KDM1A (0.46) CA2ALDH1A1HPGDEGFRAR
SCHEMBL15856485 0.81 CA1 (0.50) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL11615171 0.80 KDM1A (0.53) CA2ALDH1A1EGFRARKDM1A
SCHEMBL26153496 0.78 CYP1A2 (0.58) KDM4EALDH1A1MAPTHPGDMCL1
SCHEMBL93762 0.78 ESR2 (0.50) KDM4EALDH1A1MAPTHPGDMCL1
SCHEMBL15856482 0.77 CA1 (0.50) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL15853128 0.77 CA1 (0.46) CA1CA2KDM4EALDH1A1LMNA
SCHEMBL15853127 0.77 CA1 (0.46) CA1CA2KDM4EALDH1A1HPGD
SCHEMBL38656851 0.77 CA1 (0.56) CA1CA2XDHSLC22A12STK10
SCHEMBL28221213 0.77 HPGD (0.42) ALDH1A1LMNAMAPTHPGDEGFR

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-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
CN-1487924-A Farnesyl transferase inhibitors ���Ͽع����޹�˾ 2004-04-07 CN disclosed
EP-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP disclosed
US-20030087940-A1 Farnesyltransferase inhibitors ABBVIE INC. 2003-05-08 US disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO 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 CA1 4109/4885CA2 4164/4885KDM4E 937/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS CA1 3459/4885CA2 3495/4885KDM4E 3997/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS CA1 2584/4885CA2 3160/4885KDM4E 4096/4885

“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.