SCHEMBL4151669

SCHEMBL4151669

O=C(O)c1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cc3c2CCC(C(F)(F)F)C3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
TP53 P04637 6/20 0.40
THRB P10828 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 2/20 0.39
CASP6 P55212 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARA Q07869 1/20 0.38
AKR1C3 P42330 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.36
DUSP22 Q9NRW4 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
SCHEMBL2994562 0.89 MAPT (0.49) MAPTTP53THRBMEN1KMT2A
SCHEMBL17354737 0.87 NPC1 (0.46) MAPTTP53THRBMEN1KMT2A
SCHEMBL2984078 0.87 MAPT (0.42) MAPTTP53THRBMEN1KMT2A
SCHEMBL2991496 0.84 MAPT (0.39) MAPTTP53THRBMEN1KMT2A
SCHEMBL2996341 0.83 KMO (0.50) MAPTTP53THRBMEN1KMT2A
SCHEMBL2993560 0.81 PDE4D (0.43) MAPTTP53THRBMEN1KMT2A
SCHEMBL2996552 0.81 KDM4E (0.46) MAPTTP53THRBMEN1KMT2A
SCHEMBL2994167 0.80 MAPT (0.45) MAPTTP53THRBMEN1KMT2A
SCHEMBL27843824 0.79 MAPT (0.42) MAPTTP53MEN1KMT2APOLB
SCHEMBL2984879 0.79 MAPT (0.52) MAPTTP53THRBMEN1KMT2A

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 7 patents. 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
CN-101068781-B Compounds for alzheimer's disease MYRIAD GENETICS, INC. (US) 2012-02-01 CN claimed
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
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 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-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC MAPT 657/4885TP53 3208/4885THRB 2658/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 MAPT 24/4885TP53 578/4885THRB 3482/4885

“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.