SCHEMBL5093159

SCHEMBL5093159

N#Cc1ccc(O)c(-c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
P2RX1 P51575 1/20 0.47
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
ESR2 Q92731 1/20 0.46
PIM1 P11309 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.43
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
PGGT1B P53609 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3CA P42336 2/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
NUDT1 P36639 1/20 0.41
XDH P47989 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
SCHEMBL2111898 0.87 PTGDR2 (0.56) ALOX5P2RX1KDM1AMAOAPIM1
SCHEMBL5089124 0.85 MAOA (0.50) P2RX1KDM1AMAOAPIM1TMPRSS4
SCHEMBL5098919 0.82 MAOA (0.48) KDM1AMAOAESR2ALOX15ALOX12
SCHEMBL18587832 0.81 MAOA (0.56) ALOX5KDM1AMAOAPIM1PTGDR2
SCHEMBL5094107 0.81 ALOX5 (0.62) ALOX5P2RX1ESR2PIM1TDP1
SCHEMBL5099498 0.80 FNTA (0.50) PTGDR2FNTAFNTBPGGT1BTDP1
SCHEMBL5088969 0.79 KDM1A (0.51) KDM1AMAOAPIK3CA
SCHEMBL11741430 0.78 ALOX5 (0.58) ALOX5ESR2PIK3CAALOX15ALOX12
SCHEMBL34471154 0.77 FNTA (0.44) PTGDR2FNTAFNTBPGGT1BTDP1
SCHEMBL25587690 0.77 EGLN2 (0.45) PTGDR2FNTAFNTBPGGT1BTDP1

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 ALOX5 3568/4885P2RX1 4835/4885KDM1A 2069/4885
US-20060264476-A1 Farnesyltransferase Inhibitors FNTB, FNTA, FDPS ALOX5 1442/4885P2RX1 4871/4885KDM1A 4266/4885
US-20030087940-A1 Farnesyltransferase inhibitors FNTB, FNTA, FDPS ALOX5 1915/4885P2RX1 4869/4885KDM1A 3709/4885

“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.