SCHEMBL2948791

SCHEMBL2948791

CC(=O)N(C)[C@H]1CC[C@H](C(=O)Nc2c(C(=O)Nc3ccc(Cl)cn3)oc3ccc([N+](=O)[O-])cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KMT2A Q03164 6/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ POLB P06746 2/20 0.40
▸ F10 P00742 5/20 0.39
▸ CGAS Q8N884 1/20 0.39
▸ HSD17B10 Q99714 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL2948788 1.00 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1RECQLMAPT
SCHEMBL2949818 0.93 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1RECQLMAPT
SCHEMBL2949824 0.93 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1RECQLMAPT
SCHEMBL2949505 0.88 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL2949504 0.88 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL2944764 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTRAB9A
Hydrochloric Acid SCHEMBL2944765 0.87 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL2949754 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1RECQLMAPT
SCHEMBL2949750 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AMEN1RECQLMAPT
SCHEMBL2943667 0.85 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AMEN1MAPTRAB9A

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 — — EP disclosed
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
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 — — US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 — — EP 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 (2 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-20050282808-A1 Benzofuran derivative F12, F2, F11 SMN1; SMN2 3151/4885KMT2A 1500/4885MEN1 2756/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 SMN1; SMN2 3067/4885KMT2A 1518/4885MEN1 2864/4885

“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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