SCHEMBL324885

SCHEMBL324885

O=C(OCc1ccccc1C(F)(F)F)N1C=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TGM2 P21980 2/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
POLQ O75417 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
RBP4 P02753 1/20 0.35

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
SCHEMBL323574 0.85 GRIN2B (0.41) KDM4EALDH1A1MEN1KMT2AATM
SCHEMBL324997 0.82 F13A1 (0.39) TGM2F13A1TGM1KDM4EALDH1A1
SCHEMBL324798 0.82 GRIN2B (0.40) TGM2F13A1TGM1MAOBKDM4E
SCHEMBL322852 0.82 MMP1 (0.39) IDO1KDM4EALDH1A1KMT2APOLB
SCHEMBL324263 0.82 L3MBTL1 (0.40) TGM2F13A1TGM1MAOBMAOA
SCHEMBL324069 0.81 MMP12 (0.40)
SCHEMBL325479 0.80 RECQL (0.41) IDO1ALDH1A1MEN1KMT2APOLB
SCHEMBL323140 0.79 MMP2 (0.42)
SCHEMBL322945 0.79 ALDH1A1 (0.35) KDM4EALDH1A1ATMNPSR1TDP1
SCHEMBL323401 0.79 BCL9 (0.40) IDO1MAOBALDH1A1NPSR1TDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590944-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2013-05-15 EP disclosed
US-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2013-05-02 US disclosed
WO-2012004722-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-01-12 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 (1 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-20130109685-A1 1-PHENYL-SUBSTITUTED HETEROCYCLYL DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS PTGER1, PTGDR, PTGDR2 IDO1 910/4885TGM2 4027/4885F13A1 758/4885

“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.