SCHEMBL3302004

SCHEMBL3302004

Clc1cccc([CH]c2cccc(Cl)c2Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPP1R15A O75807 1/20 0.48
MELK Q14680 1/20 0.48
PPP1R15B Q5SWA1 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 5/20 0.44
PNMT P11086 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTGS2 P35354 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
TAAR1 Q96RJ0 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
SCHEMBL3301728 0.84 PPP1R15A (0.42) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL29010084 0.81 PPP1R15A (0.47) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL1547373 0.79 L3MBTL1 (0.46) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL40188 0.79 ALDH1A1 (0.65) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL30587141 0.79 ALDH1A1 (0.65) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL16951940 0.79 L3MBTL1 (0.50) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL95211 0.79 ALDH1A1 (0.54) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL1128766 0.79 PPP1R15A (0.46) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL9127344 0.79 PPP1R15A (0.46) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1
SCHEMBL30011286 0.79 ALDH1A1 (0.54) PPP1R15AMELKPPP1R15BNPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US 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 (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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 PPP1R15A 511/4885MELK 2017/4885PPP1R15B 587/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 PPP1R15A 475/4885MELK 1365/4885PPP1R15B 626/4885

“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.