SCHEMBL8747101

SCHEMBL8747101

CC=CNc1nc(C)c(C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.44
RAB9A P51151 11/20 0.39
NPC1 O15118 10/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
PKM P14618 3/20 0.39
NOS1 P29475 1/20 0.38
MAPT P10636 5/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL6410862 0.78 ALDH1A1 (0.44) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL9965751 0.72
SCHEMBL15899107 0.70
SCHEMBL18469874 0.70
Hydrochloric Acid SCHEMBL4380035 0.68 ALDH1A1 (0.47) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL9962639 0.67 ALDH1A1 (0.46) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL10812910 0.65 RAB9A (0.68) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL6410858 0.65 ALDH1A1 (0.44) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL16238270 0.65 RAB9A (0.64) ALDH1A1GAARAB9ANPC1SMN1; SMN2
SCHEMBL14422992 0.64 RAB9A (0.49) ALDH1A1GAARAB9ANPC1SMN1; SMN2

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-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-02-08 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 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 (4 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-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R ALDH1A1 3499/4885GAA 2168/4885RAB9A 4275/4885
US-20070032482-A1 Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments HTR6, HTR5A, P2RX6 ALDH1A1 1597/4885GAA 1688/4885RAB9A 4536/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R ALDH1A1 3499/4885GAA 2168/4885RAB9A 4275/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R ALDH1A1 3880/4885GAA 1855/4885RAB9A 4373/4885

“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.