SCHEMBL3917166

SCHEMBL3917166

COc1ccc(Br)cc1-c1nccc(O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ GAA P10253 2/20 0.43
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ GFER P55789 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ NCOA2 Q15596 1/20 0.42
▸ NCOA1 Q15788 1/20 0.42

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
SCHEMBL3907740 0.82 NPC1 (0.49) NPC1TSHRRAB9APOLBHTT
SCHEMBL3908845 0.82 RECQL (0.49) NPC1TSHRRAB9AMEN1KMT2A
SCHEMBL30957326 0.81 NPC1 (0.56) NPC1TSHRRAB9APOLBHTT
SCHEMBL13674055 0.78 CYP1A2 (0.63) NPC1TSHRRAB9AMEN1KMT2A
SCHEMBL4627925 0.75 CYP1A2 (0.43) NPC1TSHRHTTMEN1KMT2A
SCHEMBL16029189 0.74 ALOX5AP (0.38) HTTMEN1KMT2AGAACYP1A2
SCHEMBL22715573 0.73 NPC1 (0.43) NPC1TSHRRAB9APOLBHTT
SCHEMBL22716327 0.73 NPC1 (0.43) NPC1TSHRRAB9APOLBHTT
SCHEMBL14125145 0.73 GAA (0.56) NPC1TSHRRAB9APOLBHTT
SCHEMBL9566435 0.72 MGAM (0.54) NPC1TSHRRAB9APOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 — — US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 — — EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — WO disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 — — 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT NPC1 2868/4885TSHR 4033/4885RAB9A 1062/4885

“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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