SCHEMBL19180032

SCHEMBL19180032

O=C(Nc1nc2ccc(Br)cc2[nH]1)c1cc(Br)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GAA P10253 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TMPRSS4 Q9NRS4 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ F2 P00734 1/20 0.45
▸ F10 P00742 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ PLAT P00750 1/20 0.45

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
SCHEMBL6126187 0.80 EGLN1 (0.53) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL31329348 0.80 NPC1 (0.70) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2955695 0.79 LMNA (0.63) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL19180035 0.79 MEN1 (0.52) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL31329341 0.79 NPC1 (0.81) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL17422740 0.78 MEN1 (0.51) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL6126460 0.77 LMNA (0.63) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL31329345 0.75 NPC1 (0.74) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL2683695 0.74 NPC1 (0.72) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL11555981 0.73 TMPRSS4 (0.48) RAB9ANPC1MEN1KMT2AMAPT

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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 RAB9A 4231/4885NPC1 2398/4885MEN1 4611/4885

“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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