SCHEMBL4374155

SCHEMBL4374155

O=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MDM2 Q00987 3/20 0.43
MAOB P27338 2/20 0.40
IDO1 P14902 2/20 0.40
MAOA P21397 1/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MCL1 Q07820 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39

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
SCHEMBL8474294 0.85 ALDH1A1 (0.49) MDM2MAPTALDH1A1MEN1KMT2A
SCHEMBL14434156 0.85 ALDH1A1 (0.50) CYP1A2CYP2C19MAPTALDH1A1MEN1
SCHEMBL15874277 0.82 CHEK2 (0.43) MAOBMAOAMAPTALDH1A1KMT2A
Fluoride SCHEMBL8146479 0.80 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL29242 0.78 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL28180410 0.78 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL2724772 0.78 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL11320631 0.78 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL10506577 0.75 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19MAOBIDO1
SCHEMBL10506583 0.75 CYP1A2 (0.64) CYP1A2CYP2C9CYP2C19MAOBIDO1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-12-01 US disclosed
US-20110060005-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-03-10 US disclosed
US-20110060005-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2011-03-10 US disclosed
US-20100331363-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-12-30 US disclosed
US-20100331363-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-12-30 US disclosed
US-20100160372-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-06-24 US disclosed
US-20100160372-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR LINK MEDICINE CORPORATION (US) 2010-06-24 US disclosed
EP-1339709-B1 FARNESYL TRANSFERASE INHIBITING BENZOHETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP disclosed
US-7253183-B2 Method of use of (imidazol-5-yl)methyl-2-quinolinone derivatives to inhibit smooth muscle cell proliferation JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-07 US disclosed
US-6177432-B1 ANTICARCINOGENIC AGENTS, ANTITUMOR AGENTS JANSSEN-CILAG S.A. (FR) 2001-01-23 US disclosed
US-6169096-B1 FOR INHIBITING TUMOR GROWTH IN A MAMMAL JANSSEN PHARMACAEUTIC N.V. (BE) 2001-01-02 US disclosed
US-6150377-A Alkynyl-substituted quinolin-2-one derivatives useful as anticancer agents PFIZER INC. (US) 2000-11-21 US disclosed
EP-0988038-A1 (IMIDAZOL-5-YL)METHYL-2-QUINOLINONE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION JANSSEN PHARMACEUTICA N.V. (BE) 2000-03-29 EP disclosed
US-6037350-A USEFUL AS ANTICANCER AGENTS FOR TUMORS JANSSEN PHARMACEUTICA, N.V. (BE) 2000-03-14 US disclosed
EP-0977750-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 2000-02-09 EP disclosed
WO-1998055124-A1 (IMIDAZOL-5-YL)METHYL-2-QUINOLINONE DERIVATIVES AS INHIBITORS OF SMOOTH MUSCLE CELL PROLIFERATION JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-10 WO disclosed
WO-1998049157-A1 FARNESYLTRANSFERASE INHIBITING QUINAZOLINONES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-05 WO disclosed
EP-0865440-A1 FARNESYL PROTEIN TRANSFERASE INHIBITING (IMIDAZOL-5-YL)METHYL-2-QUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1998-09-23 EP disclosed
WO-1997021701-A1 FARNESYL PROTEIN TRANSFERASE INHIBITING (IMIDAZOL-5-YL)METHYL-2-QUINOLINONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-06-19 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 (4 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-20110060005-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR NLN, FNTA, ACAT1 CYP1A2 2134/4885CYP2C9 3312/4885CYP2C19 2397/4885
US-20100160372-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF CYP1A2 3957/4885CYP2C9 4539/4885CYP2C19 4365/4885
US-20100331363-A1 TREATMENT OF MITOCHONDRIAL DISORDERS USING A FARNESYL TRANSFERASE INHIBITOR NLN, ACAT1, FH CYP1A2 1837/4885CYP2C9 2994/4885CYP2C19 2416/4885
US-20110294794-A1 TREATMENT OF PROTEINOPATHIES USING A FARNESYL TRANSFERASE INHIBITOR FNTA, FNTB, BDNF CYP1A2 3661/4885CYP2C9 4438/4885CYP2C19 4207/4885

“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.