SCHEMBL13744022

SCHEMBL13744022

CN(C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Br)cc3)oc3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.70
▸ MEN1 O00255 6/20 0.70
▸ POLB P06746 2/20 0.68
▸ MAPT P10636 8/20 0.67
▸ HSD17B10 Q99714 6/20 0.67
▸ KDM4E B2RXH2 6/20 0.67
▸ TSHR P16473 5/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ HTT P42858 3/20 0.67
▸ HPGD P15428 2/20 0.67
▸ ALOX15 P16050 1/20 0.67
▸ TP53 P04637 3/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ LMNA P02545 2/20 0.59
▸ DHODH Q02127 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ RXFP1 Q9HBX9 2/20 0.57
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ CYP1A2 P05177 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
SCHEMBL13744563 0.91 MAPT (0.78) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744566 0.90 POLB (0.84) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744821 0.90 MEN1 (0.70) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744482 0.89 MAPT (0.87) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744565 0.87 KMT2A (0.57) KMT2AMEN1POLBMAPTHSD17B10
Iodide SCHEMBL2950070 0.84 MEN1 (0.61) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL20473331 0.81 MAPT (1.00) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744643 0.80 HSD17B10 (0.66) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL13744689 0.79 KMT2A (0.59) KMT2AMEN1POLBMAPTHSD17B10
SCHEMBL2940128 0.79 SMN1; SMN2 (0.59) KMT2AMEN1POLBMAPTHSD17B10

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-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 — — 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 KMT2A 1518/4885MEN1 2864/4885POLB 1805/4885

“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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