SCHEMBL5606679

SCHEMBL5606679

[CH2]n1c(=O)sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL2371113 0.76 L3MBTL1 (0.55) L3MBTL1KDM4EPKMNPC1RAB9A
SCHEMBL27039600 0.76 L3MBTL1 (0.50) L3MBTL1KDM4EPKMNPC1CYP1A2
SCHEMBL542882 0.76 L3MBTL1 (0.50) L3MBTL1KDM4EPKMNPC1CYP1A2
SCHEMBL26456483 0.76 L3MBTL1 (0.50) L3MBTL1KDM4EPKMNPC1RAB9A
SCHEMBL61339 0.76 F12 (0.59) L3MBTL1KDM4EPKMNPC1RAB9A
Formaldehyde SCHEMBL28698810 0.74 F12 (0.57) L3MBTL1KDM4EPKMNPC1RAB9A
Hydrochloric Acid SCHEMBL1719468 0.74 F12 (0.57) L3MBTL1KDM4EPKMNPC1RAB9A
SCHEMBL6365907 0.72 HSD17B10 (0.61) L3MBTL1KDM4EPKMNPC1CYP1A2
SCHEMBL11350777 0.72 L3MBTL1 (0.66) L3MBTL1KDM4EPKMNPC1CYP1A2
SCHEMBL6366188 0.72 L3MBTL1 (0.47) L3MBTL1KDM4EPKMNPC1CYP1A2

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-5201933-A Haloacetamides MONSANTO COMPANY (US) 1993-04-13 US claimed
CN-1061322-A The safe of benzoic acid derivative class weed killer herbicide MONSANTO CO (US) 1992-05-27 CN claimed
EP-0480902-A1 Safening herbicidal benzoic acid derivatives MONSANTO COMPANY (US) 1992-04-15 EP claimed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 US claimed
US-4229578-A BY REACTION OF ACID HALIDES AND XANTHATES MONSANTO COMPANY (US) 1980-10-21 US claimed
US-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors CONFORMA THERAPEUTICS CORPORATION (US) 2007-11-01 US disclosed
US-5201933-A Haloacetamides MONSANTO COMPANY (US) 1993-04-13 US disclosed
CN-1061322-A The safe of benzoic acid derivative class weed killer herbicide MONSANTO CO (US) 1992-05-27 CN disclosed
US-4258196-A REACTING THE ANION OF A PRIMARY OR SECONDARY 2-HALOACETAMIDE WITH AN ALKYLATING AGENT MONSANTO COMPANY (US) 1981-03-24 US disclosed
US-4229578-A BY REACTION OF ACID HALIDES AND XANTHATES MONSANTO COMPANY (US) 1980-10-21 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-20070253896-A1 7,9-Dihydro-Purin-8-One and Related Analogs as HSP90-Inhibitors HSP90B1, HSP90AB2P, HSP90AB1 L3MBTL1 2432/4885KDM4E 4181/4885PKM 4448/4885

“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.