SCHEMBL1383625

SCHEMBL1383625

COc1cccc(N2CCN(C(=O)c3ccoc3-c3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.59
▸ LMNA P02545 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ GFER P55789 1/20 0.53
▸ CCKAR P32238 3/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ GAA P10253 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ USP2 O75604 1/20 0.48
▸ SCD5 Q86SK9 1/20 0.48

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
SCHEMBL14758397 0.78 TSHR (0.76) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL5105716 0.75 LMNA (0.52) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL613557 0.73 AVPR1A (0.64) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL13234946 0.73 MAPT (0.76) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14758418 0.72 TSHR (0.82) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL27739890 0.72 KMT2A (0.65) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL19561830 0.71 ALDH1A1 (0.73) TSHRLMNAKMT2APOLBALDH1A1
SCHEMBL14758353 0.71 TSHR (0.65) TSHRLMNAKMT2AMEN1NPC1
SCHEMBL4319359 0.71 KMT2A (0.63) TSHRLMNAKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL27918226 0.71 KMT2A (0.63) TSHRLMNAKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4805813-B2 — — 2011-11-02 — — JP claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 — — EP claimed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 — — US claimed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 — — WO claimed
EP-1641765-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2006-04-05 — — EP disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 — — US disclosed
WO-2004108685-A1 ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2004-12-16 — — 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC TSHR 3838/4885LMNA 3596/4885KMT2A 658/4885

“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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