SCHEMBL2698758

SCHEMBL2698758

O=C(CC(=O)Oc1ccccc1)Nc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.62
▸ MEN1 O00255 6/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAOA P21397 1/20 0.53
▸ MAOB P27338 1/20 0.53
▸ HPGD P15428 2/20 0.53
▸ LMNA P02545 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ FNTA P49354 1/20 0.50
▸ FNTB P49356 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ FAAH O00519 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49
▸ RNF4 P78317 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL2701853 0.84 ALDH1A1 (0.54) KMT2AMEN1RAB9ANPC1LMNA
SCHEMBL2700751 0.84 RNF4 (0.49) KMT2AMEN1RAB9ANPC1TDP1
SCHEMBL6819134 0.84 MAPT (0.49) KMT2AMEN1RAB9ANPC1TDP1
SCHEMBL2701806 0.84 KMT2A (0.60) KMT2AMEN1RAB9ANPC1HPGD
SCHEMBL2699362 0.84 MAOA (0.58) KMT2AMEN1RAB9ANPC1MAOA
SCHEMBL20941574 0.83 MEN1 (0.68) KMT2AMEN1RAB9ANPC1TDP1
SCHEMBL11173671 0.80 ALDH1A1 (0.70) KMT2AMEN1RAB9ANPC1TDP1
SCHEMBL5206026 0.78 HPGD (0.75) KMT2AMEN1RAB9ANPC1TDP1
SCHEMBL13424998 0.78 HDAC2 (0.50) KMT2AMEN1HPGD
SCHEMBL2702309 0.78 ALDH1A1 (0.58) KMT2AMEN1RAB9ANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 — — 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 KMT2A 3654/4885MEN1 4455/4885RAB9A 4295/4885

“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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