SCHEMBL2993855

SCHEMBL2993855

COc1ccc(-c2cc3c(n2-c2cccc(C(=O)O)c2)CCC(C(F)(F)F)C3)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
STIM1 Q13586 2/20 0.39
ORAI1 Q96D31 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
PTGER1 P34995 4/20 0.38
TP53 P04637 4/20 0.38
LMNA P02545 2/20 0.37
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 1/20 0.37
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2989797 0.88 PTGER1 (0.40) MAPTSTIM1ORAI1PTGER1TP53
SCHEMBL2993560 0.85 PDE4D (0.43) MAPTSTIM1ORAI1PTGER1TP53
SCHEMBL2994562 0.81 MAPT (0.49) MAPTPTGER1TP53LMNAKMT2A
SCHEMBL17354737 0.80 NPC1 (0.46) MAPTSMN1; SMN2PTGER1TP53LMNA
SCHEMBL2998606 0.79 ALDH1A1 (0.54) MAPTSMN1; SMN2PTGER1TP53KMT2A
SCHEMBL2984078 0.78 MAPT (0.42) MAPTSMN1; SMN2PTGER1TP53LMNA
SCHEMBL17685042 0.78 MAPT (0.42) MAPTSMN1; SMN2PTGER1TP53LMNA
SCHEMBL2990646 0.78 SERPINE1 (0.47) MAPTSMN1; SMN2STIM1ORAI1PTGER1
SCHEMBL2991496 0.77 MAPT (0.39) MAPTPTGER1TP53LMNAKMT2A
SCHEMBL4151669 0.76 MAPT (0.40) MAPTTP53LMNAAKR1C3KMT2A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US claimed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US claimed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 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 (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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN MAPT 10/4885SMN1; SMN2 724/4885STIM1 2800/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC MAPT 657/4885SMN1; SMN2 76/4885STIM1 3003/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO MAPT 46/4885SMN1; SMN2 596/4885STIM1 2290/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 MAPT 24/4885SMN1; SMN2 1033/4885STIM1 2691/4885

“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.