SCHEMBL5863866

SCHEMBL5863866

NC(=O)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PDK2 Q15119 2/20 0.36
MTTP P55157 2/20 0.35

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
SCHEMBL11086275 0.85 APEX1 (0.41) APEX1KMT2ATHRBTDP1PDK2
SCHEMBL5863723 0.85 THRB (0.46) APEX1THRBTDP1PDK2MTTP
Hydrochloric Acid SCHEMBL6777668 0.84 THRB (0.44) APEX1THRBTDP1PDK2MTTP
SCHEMBL6777657 0.84 APEX1 (0.40) APEX1THRBTDP1MTTP
SCHEMBL10778218 0.83 APEX1 (0.42) APEX1KMT2ATHRBTDP1PDK2
Propionamide SCHEMBL27574379 0.83 THRB (0.38) APEX1KMT2ATHRBTDP1MTTP
SCHEMBL10995584 0.81 APEX1 (0.40) APEX1KMT2ATHRBTDP1MTTP
SCHEMBL7045213 0.80 MTTP (0.39) APEX1PDK2MTTP
SCHEMBL11084778 0.79 SCN1A (0.41) KMT2A
SCHEMBL6769789 0.79 AKR1C1 (0.35) APEX1KMT2ATHRBTDP1MTTP

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-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC APEX1 3633/4885KMT2A 2580/4885THRB 1231/4885

“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.