SCHEMBL3501076

SCHEMBL3501076

Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccc(C)cc4)n(C4CCCCO4)n3)nn2C2CCCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
S1PR1 P21453 1/20 0.38
SMPD1 P17405 1/20 0.38
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
CNR2 P34972 1/20 0.38
POLQ O75417 1/20 0.38
LMNA P02545 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
MALT1 Q9UDY8 3/20 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
SCHEMBL3500534 0.95 P2RY14 (0.38) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3501258 0.93 NPC1 (0.37) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL13283574 0.92 NPC1 (0.36) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3501950 0.90 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3501367 0.88 ADORA3 (0.40) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3501014 0.87 RXRA (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3500073 0.85 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3501716 0.84 FAAH (0.40) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL3500997 0.82 RAB9A (0.41) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL13312302 0.80 HDAC3 (0.42) NPC1RAB9ASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2108644-B1 N-(Methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2016-07-20 EP disclosed
US-8673940-B2 Compounds for the treatment of diseases associated with amyloid or amyloid-like proteins AC IMMUNE SA (CH) 2014-03-18 US disclosed
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS AC IMMUNE SA (CH) 2012-12-06 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
US-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2010-07-22 US disclosed
EP-2108644-A1 N-(methyl)-pyridin-2-amine derivatives for the treatment of diseases associated with amyloid or amyloid-like proteins AC Immune S.A. (CH) 2009-10-14 EP disclosed
EP-2102165-A2 N-(METHYL)-1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC Immune S.A. (CH) 2009-09-23 EP disclosed
WO-2008061795-A2 N- (METHYL) -1H- PYRAZOL- 3 -AMINE, N- (METHYL) -PYRIDIN-2-AMINE AND N- (METHYL) -THIAZ0L-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S AC IMMUNE SA (CH) 2008-05-29 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-20100183513-A1 N-(METHYL) -1H-PYRAZOL-3-AMINE, N-(METHYL)-PYRIDIN-2-AMINE AND N-(METHYL)-THIAZOL-2-AMINE DERIVATIVES FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS, LIKE E.G. ALZHEIMER'S PSEN2, APP, PSEN1 NPC1 493/4885RAB9A 3546/4885SMN1; SMN2 730/4885
US-20120309791-A1 NOVEL COMPOUND FOR THE TREATMENT OF DISEASES ASSOCIATED WITH AMYLOID OR AMYLOID-LIKE PROTEINS APP, PSEN2, PSEN1 NPC1 254/4885RAB9A 2382/4885SMN1; SMN2 1837/4885

“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.