SCHEMBL3965232

SCHEMBL3965232

O=C(CCl)N(CCc1ccc(-c2ccccc2)cc1)Cc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP19A1 P11511 2/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
NR1H2 P55055 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
LPAR1 Q92633 1/20 0.39
ULK1 O75385 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL3963943 0.75 PPARA (0.49) RAB9ANPC1PPARG
SCHEMBL3963670 0.75 YAP1 (0.53) RAB9ATDP1HTR2AKDM4EGAA
SCHEMBL3963129 0.74 NPC1 (0.47) RAB9ANPC1HTR2AALDH1A1
SCHEMBL3963243 0.74 NPC1 (0.47) RAB9ANPC1HTR2AALDH1A1
SCHEMBL3964632 0.69 RIPK1 (0.59) RAB9AKMT2AKDM4EALDH1A1
SCHEMBL4630765 0.69 POLB (0.45) TDP1HTR2AKDM4EALDH1A1
SCHEMBL3965020 0.69 TDP1 (0.41) RAB9AMEN1NPC1KMT2ATDP1
SCHEMBL20669533 0.68 NR1H2 (0.60) KMT2ANR1H2LPAR1ALDH1A1EGFR
SCHEMBL3968752 0.68 PKM (0.47) RAB9AMEN1NPC1KMT2AHTR2A
SCHEMBL8672090 0.68 PLAAT3 (0.55) RAB9AMEN1NPC1KMT2ATDP1

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-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 US disclosed
US-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC RAB9A 2041/4885MEN1 3054/4885NPC1 59/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG RAB9A 2433/4885MEN1 4633/4885NPC1 845/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A RAB9A 2015/4885MEN1 2619/4885NPC1 130/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP RAB9A 1893/4885MEN1 2350/4885NPC1 14/4885

“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.