SCHEMBL20370637

SCHEMBL20370637

CCN(CC)c1ccc(NC(=O)c2ccc(Br)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 1.00
▸ NPC1 O15118 8/20 1.00
▸ SMN1; SMN2 Q16637 7/20 1.00
▸ TP53 P04637 5/20 1.00
▸ MAPK1 P28482 3/20 1.00
▸ NFKB1 P19838 3/20 1.00
▸ NFKB2 Q00653 3/20 1.00
▸ RELA Q04206 3/20 1.00
▸ L3MBTL1 Q9Y468 3/20 1.00
▸ GFER P55789 2/20 1.00
▸ POLB P06746 2/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ MAPT P10636 9/20 0.69
▸ MEN1 O00255 4/20 0.69
▸ KMT2A Q03164 4/20 0.69
▸ ALOX15 P16050 2/20 0.69
▸ ALDH1A1 P00352 5/20 0.64
▸ LMNA P02545 4/20 0.62
▸ PKM P14618 1/20 0.62
▸ TDP1 Q9NUW8 2/20 0.59

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
SCHEMBL22804219 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL18180861 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL28253323 0.80 NPC1 (0.66) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL7718014 0.77 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL4020988 0.77 RAB9A (0.70) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL3642839 0.77 MAPT (0.88) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL12793737 0.75 MEN1 (0.64) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL28242755 0.75 NPC1 (0.59) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL1687871 0.73 HDAC3 (0.64) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL6814592 0.73 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180195066-A1 METHODS FOR TREATING NEUROLOGICAL DISORDERS USING A SYNERGISTIC SMALL MOLECULE AND NUCLEIC ACIDS THERAPEUTIC APPROACH RXI PHARMACEUTICALS CORPORATION (US) 2018-07-12 — — 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-20180195066-A1 METHODS FOR TREATING NEUROLOGICAL DISORDERS USING A SYNERGISTIC SMALL MOLECULE AND NUCLEIC ACIDS THERAPEUTIC APPROACH SOD1, POLRMT, SMN1; SMN2 RAB9A 2384/4885NPC1 1585/4885SMN1; SMN2 3/4885

“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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