SCHEMBL12692479

SCHEMBL12692479

c1ccc2oc(-c3csc(N4CCCCC4)n3)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.79
▸ SMN1; SMN2 Q16637 11/20 0.79
▸ NPC1 O15118 10/20 0.79
▸ MAPT P10636 6/20 0.79
▸ KDM4E B2RXH2 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ NFKB1 P19838 4/20 0.79
▸ NFKB2 Q00653 4/20 0.79
▸ RELA Q04206 4/20 0.79
▸ LMNA P02545 3/20 0.77
▸ HPGD P15428 2/20 0.77
▸ AR P10275 3/20 0.59
▸ TP53 P04637 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CYP19A1 P11511 1/20 0.51
▸ STAT1 P42224 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL12692378 0.88 NPC1 (1.00) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL12288886 0.80 SMN1; SMN2 (0.80) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL2553839 0.80 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL29546111 0.79 RAB9A (0.54) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL3004754 0.75 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL17266249 0.75 SMN1; SMN2 (1.00) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL18674671 0.73 AR (0.97) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL5328162 0.73 NPC1 (1.00) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL19051409 0.72 AR (0.62) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL12647915 0.72 NPC1 (0.69) RAB9ASMN1; SMN2NPC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160022691-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RES INST (US) 2016-01-28 — — US disclosed
US-20120245166-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH SOUTHERN RESEARCH INSTITUTE (US) 2012-09-27 — — 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 (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-20160022691-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB RAB9A 2424/4885SMN1; SMN2 33/4885NPC1 489/4885
US-20120245166-A1 TREATMENT OF NEURODEGENERATIVE DISEASES, CAUSATION OF MEMORY ENHANCEMENT, AND ASSAY FOR SCREENING COMPOUNDS FOR SUCH NFKBIA, NFRKB, TFEB RAB9A 2402/4885SMN1; SMN2 29/4885NPC1 467/4885

“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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