SCHEMBL12671882

SCHEMBL12671882

CC/N=C1\S/C(=C\c2cc(Br)c(O)c(Br)c2)C(=O)N1CC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.82
▸ KMT2A Q03164 8/20 0.82
▸ PKM P14618 1/20 0.82
▸ ALDH1A1 P00352 9/20 0.61
▸ MAPT P10636 6/20 0.61
▸ LMNA P02545 3/20 0.61
▸ POLB P06746 2/20 0.61
▸ CFTR P13569 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ S1PR4 O95977 4/20 0.49
▸ S1PR1 P21453 3/20 0.49
▸ S1PR5 Q9H228 3/20 0.49
▸ HTT P42858 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ TNNI3 P19429 1/20 0.47
▸ TNNT2 P45379 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
SCHEMBL22386371 0.74 MEN1 (0.65) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL17309380 0.74 MEN1 (0.65) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL3364192 0.72 CFTR (1.00) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL3364187 0.72 CFTR (1.00) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL10668045 0.71 ALDH1A1 (0.52) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL10668039 0.71 ALDH1A1 (0.52) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL2176166 0.70 HSD17B3 (0.61) MEN1KMT2AALDH1A1
SCHEMBL2176164 0.70 HSD17B3 (0.61) MEN1KMT2AALDH1A1
SCHEMBL17779727 0.69 PTPN12 (0.62) KMT2A
SCHEMBL2172737 0.68 AURKA (0.48) MEN1KMT2APKMALDH1A1LMNA

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-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 — — 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-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 MEN1 2136/4885KMT2A 4437/4885PKM 2220/4885

“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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