SCHEMBL17433453

SCHEMBL17433453

O=C(Nc1ccc(Cl)cc1)c1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.57
▸ NHERF1 O14745 2/20 0.56
▸ PYGL P06737 4/20 0.55
▸ ALOX15 P16050 3/20 0.55
▸ NPC1 O15118 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ GPR183 P32249 1/20 0.49
▸ PLCG2 P16885 1/20 0.49
▸ PRMT1 Q99873 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ PIK3CA P42336 1/20 0.49

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
SCHEMBL30762244 0.92 NPC1 (0.57) KMT2AMEN1RXFP1NPC1LMNA
SCHEMBL17422865 0.92 NPC1 (0.57) KMT2AMEN1RXFP1NPC1LMNA
SCHEMBL29176363 0.86 NPC1 (0.71) NPC1LMNARAB9ASMN1; SMN2EGFR
SCHEMBL29176325 0.86 NHERF1 (0.56) KMT2AMEN1RXFP1NHERF1PYGL
SCHEMBL29176354 0.82 NPC1 (0.58) KMT2AMEN1NHERF1ALOX15NPC1
SCHEMBL16627058 0.82 NPC1 (0.78) KMT2AMEN1RXFP1NHERF1PYGL
SCHEMBL17433428 0.79 NPC1 (0.78) NPC1LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL20596831 0.78 ROCK2 (0.52) NPC1LMNARAB9ASMN1; SMN2PRMT1
SCHEMBL30571090 0.78 ROCK2 (0.52) NPC1LMNARAB9ASMN1; SMN2PRMT1
SCHEMBL29176334 0.78 NPC1 (0.52) KMT2AMEN1ALOX15NPC1LMNA

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 3 patents. 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
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 — — US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 — — WO 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 KMT2A 2483/4885MEN1 4611/4885RXFP1 2175/4885

“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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