SCHEMBL5094221

SCHEMBL5094221

N#Cc1ccc(O)c(-c2cccc3cccnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ COMT P21964 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ METAP2 P50579 1/20 0.47
▸ METAP1 P53582 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ SLC40A1 Q9NP59 2/20 0.47
▸ EGLN1 Q9GZT9 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ FNTA P49354 2/20 0.45
▸ FNTB P49356 2/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL27570425 0.76 TSHR (0.68) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL5099580 0.76 CA1 (0.50) LMNAKDM4CFNTAFNTBEGFR
SCHEMBL11615171 0.76 KDM1A (0.53) KDM4CMEN1KMT2AEGFR
SCHEMBL28105074 0.75 TSHR (0.66) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL5088968 0.75 MEN1 (0.46) SLC40A1EGLN1PKMLMNAFNTA
SCHEMBL6269924 0.74 KDM1A (0.46) TSHRHSD17B10KDM4CEGFR
SCHEMBL27658667 0.74 COMT (0.47) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL1282008 0.74 CCR1 (0.75) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL30184687 0.74 CCR1 (0.75) MMP2TSHRCHRM1COMTADRA1A
SCHEMBL22065185 0.73 FABP1 (0.49) MMP2TSHRSLC40A1EGLN1PKM

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 8 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
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 MMP2 1385/4885TSHR 4097/4885CHRM1 4585/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS MMP2 1384/4885TSHR 1759/4885CHRM1 4850/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS MMP2 1521/4885TSHR 1983/4885CHRM1 4762/4885

“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.

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