SCHEMBL4472759

SCHEMBL4472759

O=C(CCl)Nc1c(Cl)cccc1COC(=O)CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 3/20 0.42
NLRP3 Q96P20 1/20 0.42
KMT2A Q03164 2/20 0.40
TTR P02766 2/20 0.40
USP2 O75604 1/20 0.40
CYP2C9 P11712 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL14416593 0.82 MAPT (0.53) LMNAALDH1A1L3MBTL1MAPTNLRP3
SCHEMBL4473255 0.80 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL7291906 0.79 ALDH1A1 (0.61) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL5528418 0.72 ALDH1A1 (0.66) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL11274921 0.72 SMN1; SMN2 (0.54) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL11267330 0.71 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6691256 0.71 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6691264 0.70 MAPT (0.53) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL7137597 0.70 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6769239 0.70 SMN1; SMN2 (0.59) LMNAALDH1A1SMN1; SMN2MAPTNLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622473-B2 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622473-B2 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622473-B2 'N-(2-chloro-6-methylphenyl)-2-[[(6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1863807-A1 'N-(2-CHLORO-6-METHYLPHENYL)-2-ÝÝ6-Ý4-(2-HYDROXYETHYL)-1-PIPERAZINYL¨-2-METHYL-4-PYRIMIDINYL¨AMINO¨-5-THIAZOLECARBOXAMIDES METABOLITES Brystol-Myers Squibb Company (US) 2007-12-12 EP disclosed
WO-2007106879-A2 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO]-5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-20 WO disclosed
WO-2007106879-A2 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO]-5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-20 WO disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 US disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 US disclosed
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 US disclosed
US-20060211705-A1 'N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006099474-A1 'N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO]-5-THIAZOLECARBOXAMIDES METABOLITES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-21 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 (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-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF UGT1A6, PAH, CYP2B6 LMNA 2000/4885ALDH1A1 96/4885SMN1; SMN2 1559/4885
US-20060211705-A1 'N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamides metabolites IL2, TPMT, HNMT LMNA 3510/4885ALDH1A1 239/4885SMN1; SMN2 1210/4885

“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.