Sugi Predict

Sugi Predict / Compounds / SCHEMBL324431

SCHEMBL324431

SCHEMBL324431

O=C(OCCc1ccccc1Cl)N1C=Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ TAAR1 Q96RJ0 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL324263 0.88 L3MBTL1 (0.40) ALDH1A1HSD17B3MAPTHDAC3HSP90AA1
SCHEMBL323621 0.83 P2RX4 (0.44) ALDH1A1NAMPTHDAC3CYP3A4HPGD
SCHEMBL323083 0.82 IDO1 (0.38) ALDH1A1HSD17B3MAPTHDAC3TAAR1
SCHEMBL323769 0.81 TSHR (0.42) ALDH1A1HSD17B3NAMPTHDAC3HPGD
SCHEMBL324646 0.81 HSD17B3 (0.38) ALDH1A1HSD17B3MAPTHDAC3MEN1
SCHEMBL5721697 0.80 ALDH1A1 (0.41) ALDH1A1HSD17B3NAMPTHDAC3CYP3A4
SCHEMBL325232 0.79 HSD17B3 (0.46) HSD17B3HDAC3KCNH2DRD2DRD3
SCHEMBL15056783 0.79 MEN1 (0.41) HSD17B3MAPTHDAC3MEN1KMT2A
SCHEMBL15056964 0.78 HDAC3 (0.41) ALDH1A1HSD17B3MAPTNAMPTHDAC3
SCHEMBL29493251 0.78 HDAC3 (0.41) ALDH1A1HSD17B3MAPTNAMPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575158-B2 1-phenyl-substituted heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-05 — — US disclosed
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 ALDH1A1 2057/4885HSD17B3 967/4885MAPT 4762/4885

“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.