SCHEMBL1032879

SCHEMBL1032879

NC(=O)COc1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
HTT P42858 2/20 0.61
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 3/20 0.55
MAPT P10636 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
RECQL P46063 1/20 0.55
NPC1 O15118 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
PKM P14618 1/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 1/20 0.53
SENP2 Q9HC62 1/20 0.53
SENP1 Q9P0U3 1/20 0.53

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
SCHEMBL5362778 0.86 HTT (0.71) KDM4EHTTL3MBTL1SMN1; SMN2POLB
SCHEMBL9195201 0.85 HTT (0.53) KDM4EHTTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL6203335 0.85 HTT (0.53) KDM4EHTTKMT2AL3MBTL1SMN1; SMN2
SCHEMBL101520 0.82 PTGDR2 (0.68) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL3254718 0.82 MEN1 (0.58) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL27191874 0.82 HTT (0.50) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL11488532 0.81 MEN1 (0.58) HTTMEN1KMT2AL3MBTL1RAB9A
SCHEMBL5523413 0.81 KMT2A (0.57) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL28131537 0.81 PTGDR2 (0.66) KDM4EHTTMEN1KMT2AL3MBTL1
SCHEMBL28178693 0.81 PTGDR2 (0.66) KDM4EHTTMEN1KMT2AL3MBTL1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
CN-113785838-B Combination fungicides containing chlorophenoxyamide and procymidone 浙江农林大学 2022-11-22 CN disclosed
CN-114158565-A Bactericidal composition containing fenpyrazamine and chlorophenoxyacetic acid amide and application thereof 青岛海利尔生物科技有限公司 2022-03-11 CN disclosed
CN-114158565-A Bactericidal composition containing fenpyrazamine and chlorophenoxyacetic acid amide and application thereof 青岛海利尔生物科技有限公司 2022-03-11 CN disclosed
CN-113785838-A Combination fungicides containing chlorophenoxyamide and procymidone 浙江农林大学 2021-12-14 CN disclosed
CN-108419804-B Bactericidal composition and application thereof 中化作物保护品有限公司 2020-06-19 CN disclosed
CN-102439153-A Compositions for stimulating innate immune resistance to pathogens in mammals UNIV TEXAS 2012-05-02 CN disclosed
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US disclosed
US-4176231-A Process for preparing 3-exomethylenecepham sulfoxides LILLY INDUSTRIES LIMITED (GB) 1979-11-27 US disclosed
US-4159266-A AZETIDINONE SULFINIC ACID DERIVATIVES ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4048160-A Process for preparation of 7-alkoxy-3-bromomethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4048163-A Process for preparation of 7-alkoxy-3-chloromethylcephems ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed
US-4042585-A Process for preparation of 3-halomethylcephems ELI LILLY AND COMPANY (US) 1977-08-16 US disclosed
US-4038275-A PROCESS FOR PREPARATION OF 3-HYDROXYMETHYLCEPHEMS ELI LILLY AND COMPANY (US) 1977-07-26 US disclosed
US-3966769-A Sulfonyl compounds CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-06-29 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 (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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 KDM4E 829/4885HTT 2564/4885MEN1 4776/4885

“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.