SCHEMBL16241222

SCHEMBL16241222

CN1CCC(OC(=O)c2cc3c(C(F)(F)F)cc(-c4ccccc4)cc3n2O)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 4/20 0.67
▸ SCN1A P35498 6/20 0.52
▸ SCN2A Q99250 6/20 0.52
▸ SCN3A Q9NY46 6/20 0.52
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CHRM3 P20309 5/20 0.42
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM2 P08172 1/20 0.39

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
SCHEMBL16241012 0.87 LDHA (0.66) LDHASCN1ASCN2ASCN3AMAPT
SCHEMBL15060018 0.83 LDHA (0.46) LDHASCN1ASCN2ASCN3AKMT2A
SCHEMBL15070120 0.81 LDHA (1.00) LDHAKDM4E
SCHEMBL15058048 0.78 LDHA (0.77) LDHAKMT2AMEN1KDM4ELMNA
SCHEMBL15058801 0.78 LDHA (0.77) LDHAKDM4EMAPTNPSR1
SCHEMBL7624 0.77 LDHA (1.00) LDHA
SCHEMBL15059011 0.76 LDHA (0.47) LDHAMAPTCHRM4
SCHEMBL15058967 0.75 LDHA (0.72) LDHAKMT2AMEN1KDM4ELMNA
SCHEMBL15058822 0.75 LDHA (0.71) LDHAKDM4ECHRM3CHRM4CHRM5
SCHEMBL16240841 0.72 LDHA (0.46) LDHAKMT2AMEN1KDM4EMAPT

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 2 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
US-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) UNIVERSITA DI PISA (IT) 2014-11-20 — — 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-20140343001-A1 INDOLE DERIVATIVES INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) LDHA, LDHB, IDO1 LDHA 1/4885SCN1A 3172/4885SCN2A 3359/4885

“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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