SCHEMBL3295740

SCHEMBL3295740

Clc1ccc([CH]c2ccccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
EGFR P00533 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALPL P05186 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ALPG P10696 1/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL9591612 0.87 TDP1 (0.56) TDP1MAPTKDM4ENPC1ALDH1A1
SCHEMBL2097650 0.82 TDP1 (0.65) TDP1MAPTKDM4ENPC1ALDH1A1
SCHEMBL722335 0.82 NPC1 (0.51) TDP1LMNAMAPTEGFRKDM4E
SCHEMBL722334 0.82 NPC1 (0.51) TDP1LMNAMAPTEGFRKDM4E
SCHEMBL7186505 0.81 TSHR (0.50) TDP1MAPTGAAGRIN2DGRIN3B
SCHEMBL27686167 0.81 TDP1 (0.54) TDP1CYP1A2CYP2C19LMNAMAPT
SCHEMBL9592335 0.80 TDP1 (0.48) TDP1CYP1A2CYP2C19MAPTKDM4E
SCHEMBL17789112 0.79 MAOB (0.52) TDP1LMNAMAPTEGFRKDM4E
Styrene SCHEMBL9066030 0.79 ALDH1A1 (0.52) TDP1CYP1A2CYP2C19LMNAMAPT
SCHEMBL2204268 0.78 ALDH1A1 (0.52) CYP1A2CYP2C19LMNAMAPTNPC1

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 10 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
US-5194441-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-5156669-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
US-4591590-A ANTIALLERGINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-27 US disclosed
EP-0113226-A1 Benzhydrylpiperazine derivatives, processes for the preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-07-11 EP 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 TDP1 4412/4885CYP1A2 3803/4885CYP2C19 2753/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 TDP1 4358/4885CYP1A2 2881/4885CYP2C19 2391/4885

“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.