SCHEMBL18415438

SCHEMBL18415438

Cc1cc(C)c(NC(=O)C(=O)NCc2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ KMT2A Q03164 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MITF O75030 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ TP53 P04637 1/20 0.47

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
SCHEMBL18415512 0.90 KMT2A (0.51) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415532 0.88 ALDH1A1 (0.50) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415570 0.88 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL18415514 0.88 EPHX2 (0.48) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415576 0.87 RAB9A (0.54) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL8817030 0.86 LCK (0.65) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415518 0.86 ALDH1A1 (0.49) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415517 0.84 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL20194495 0.81 EPHX2 (0.44) LCKALDH1A1KMT2AMEN1MAPT
SCHEMBL18415508 0.78 KDM4E (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3326715-B1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE CE PHARM CO LTD (CN) 2021-09-15 — — EP disclosed
US-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-07-26 — — US disclosed
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 — — EP disclosed
WO-2017012379-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE 中国科学院上海有机化学研究所 2017-01-26 — — 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 (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-20180207628-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE AOC2, AOC1, AOC3 LCK 270/4885ALDH1A1 213/4885KMT2A 1774/4885

“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.

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