SCHEMBL448937

SCHEMBL448937

O=[C]Nc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
DHODH Q02127 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL227130 0.82 CYP1A2 (0.44) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL9770282 0.80 CYP3A4 (0.36) MEN1KMT2AMAPK1
SCHEMBL2099071 0.79 MAPT (0.51) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL3251079 0.78 MEN1 (0.46) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL2094422 0.75 RAF1 (0.42) MEN1KMT2ALMNAHPGDKDM4E
SCHEMBL2094076 0.75 CYP1A2 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL11463688 0.73 L3MBTL1 (0.37) LMNAMAPK1NPC1HPGDRAB9A
SCHEMBL4159994 0.72 MEN1 (0.52) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL3076867 0.71 ALDH1A1 (0.41) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL560892 0.70 MEN1 (0.50) MEN1KMT2ALMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825147-B2 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2010-11-02 US claimed
US-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors X-CEPTOR THERAPEUTICS, INC. (US) 2008-03-20 US claimed
EP-1663999-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES, LTD. (IN) 2006-06-07 EP claimed
EP-1521746-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-Ceptor Therapeutics, Inc. (US) 2005-04-13 EP claimed
US-20050075383-A1 Inhibitors of phophodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 US claimed
WO-2005021515-A2 INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2005-03-10 WO claimed
WO-2003076418-A1 QUINAZOLINONE MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-09-18 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
EP-0688775-B1 Method for the purification of 23 -E isomers of 23-imino derivatives of LL-F28249 compounds AMERICAN CYANAMID CO (US) 2002-03-06 EP claimed
US-4916154-A 23-Imino derivatives of LL-F28249 compounds AMERICAN CYANAMID COMPANY (US) 1990-04-10 US claimed
US-4886829-A ANTHELMINTICS, NEMATICIDES, MITICIDES, INSECTICIDES; CROPS AND MAMMALS AMERICAN CYANAMID COMPANY (US) 1989-12-12 US claimed
US-4877888-A INSECTICIDES, PARASITICIDES, NEMATICIDES, ACARICIDES AMERICAN CYANAMID COMPANY (US) 1989-10-31 US claimed
EP-0293549-A1 23-Oxo (keto) and 23-imino derivatives of mono- and diepoxy LL-F28249 compounds AMERICAN CYANAMID COMPANY (US) 1988-12-07 EP claimed
EP-0260536-A2 23-imino derivatives of 23-keto compounds useful as pesticides. AMERICAN CYANAMID COMPANY (US) 1988-03-23 EP claimed
EP-0260537-A1 13-Deoxy-23-oxo(keto) and 23-imino derivatives of 13-deoxy C-076-aglycone compounds AMERICAN CYANAMID COMPANY (US) 1988-03-23 EP claimed
EP-0259779-A1 23-Oxo (Keto) and 23-imino Derivatives of LL-F28249 Compounds AMERICAN CYANAMID COMPANY (US) 1988-03-16 EP claimed
US-4394158-A PLANT GROWTH REGULATORS AND SAFENING AGENTS CIBA-GEIGY CORPORATION (US) 1983-07-19 US claimed
US-4347372-A Benzoxazolyl-glyoxylonitrile-2-oxime ether derivatives CIBA-GEIGY CORPORATION (US) 1982-08-31 US claimed
US-4006163-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1977-02-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080070864-A1 Quinazolinone Modulators Of Nuclear Receptors NR1H4, NR1H2, NR1H3 MEN1 4424/4885KMT2A 3861/4885LMNA 3754/4885
US-20050075383-A1 Inhibitors of phophodiesterase type-IV PDE7A, PDE4A, PDE4B MEN1 4818/4885KMT2A 4537/4885LMNA 4424/4885

“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.