SCHEMBL15060018

SCHEMBL15060018

CN1CCC(OC(=O)c2cc3c(C(F)(F)F)cc(-c4ccc(Cl)cc4Cl)cc3n2O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 2/20 0.46
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SCN1A P35498 3/20 0.38
▸ SCN2A Q99250 3/20 0.38
▸ SCN3A Q9NY46 3/20 0.38
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34

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
SCHEMBL16240841 0.89 LDHA (0.46) LDHAKMT2AMEN1KDM4EMAPT
SCHEMBL15059011 0.87 LDHA (0.47) LDHAMAPTCYP2C9CYP2C19GAA
SCHEMBL16241222 0.83 LDHA (0.67) LDHAKMT2AMEN1KDM4ESCN1A
SCHEMBL16240393 0.83 LDHA (0.66) LDHACYP2C19
SCHEMBL16240325 0.81 LDHA (0.52) LDHAKMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL16240315 0.81 LDHA (0.52) LDHAKDM4EMAPTSMN1; SMN2
SCHEMBL12838 0.79 LDHA (0.65) LDHAKDM4E
SCHEMBL16240175 0.78 LDHA (0.48) LDHAKMT2AKDM4E
SCHEMBL16240031 0.77 LDHA (0.66) LDHAKDM4EMAPTCYP2C19SMN1; SMN2
SCHEMBL15060081 0.77 LDHA (0.48) LDHAMAPTCYP2C9CYP2C19

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
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US claimed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 — — WO claimed
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — US disclosed
WO-2013092753-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITÀ DI PISA (IT) 2013-06-27 — — 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885KMT2A 1816/4885MEN1 3823/4885

“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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