SCHEMBL8246090

SCHEMBL8246090

CN[C@@H](C)C(=O)Nc1nccs1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ FFAR2 O15552 4/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HSPA9 P38646 3/20 0.56
▸ HSPA5 P11021 4/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ XBP1 P17861 1/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ ADORA2A P29274 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HSPA2 P54652 1/20 0.51

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
Bromide SCHEMBL11310364 0.98 LMNA (0.58) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL1107000 0.84 ADORA2A (0.68) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL27891187 0.81 FFAR2 (0.62) LMNAHSD17B10FFAR2TSHRHSPA9
Bromide SCHEMBL11317007 0.80 LMNA (0.57) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL23804604 0.79 LMNA (0.59) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL7868173 0.79 LMNA (0.56) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL7876872 0.79 LMNA (0.59) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL12884426 0.78 LMNA (0.58) LMNAHSD17B10FFAR2TSHRHSPA9
Bromide SCHEMBL11310643 0.76 LMNA (0.57) LMNAHSD17B10FFAR2TSHRHSPA9
SCHEMBL23804606 0.76 HSPA5 (0.78) LMNAHSD17B10TSHRHSPA9HSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE HEINE NIKLAS 2010-07-01 — — US disclosed
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 — — US disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — WO disclosed
WO-2007017510-A2 ISOPHTHALIC ACID DIAMIDES FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 — — 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 (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-20100168070-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 LMNA 582/4885HSD17B10 1258/4885FFAR2 2895/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 LMNA 630/4885HSD17B10 1209/4885FFAR2 2722/4885

“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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