SCHEMBL2998653

SCHEMBL2998653

O=C(O)c1cc(-n2c(-c3ccc(Cl)cc3)cc3c4ccccc4ccc32)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
CTSB P07858 2/20 0.44
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
PTGER1 P34995 1/20 0.39
POLB P06746 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
RPA1 P27694 2/20 0.38
NSD2 O96028 1/20 0.38
APEX1 P27695 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 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
SCHEMBL2991478 0.83 KDM4E (0.46) TDP1ALDH1A1PTGER1POLBL3MBTL1
SCHEMBL4140780 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2AMDM2
SCHEMBL11699793 0.82 MYC (0.56) ALDH1A1PKMMCL1MYC
SCHEMBL2984044 0.81 ALDH1A1 (0.41) TDP1CTSBALDH1A1POLBL3MBTL1
SCHEMBL2996029 0.77 PLA2G10 (0.44) TDP1ALDH1A1PTGER1POLBL3MBTL1
SCHEMBL2999265 0.77 PLA2G10 (0.53) TP53MDM2MAPT
SCHEMBL12091770 0.77 PTGER4 (0.45) ALDH1A1L3MBTL1PKMMEN1KMT2A
SCHEMBL4148824 0.75 EGFR (0.46) ALDH1A1TP53POLBL3MBTL1MEN1
SCHEMBL2985652 0.75 KDM4E (0.54) TDP1ALDH1A1PTGER1POLBL3MBTL1
SCHEMBL2996085 0.74 PTGER1 (0.47) ALDH1A1PTGER1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 TDP1 559/4885CTSB 2296/4885ALDH1A1 2169/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC TDP1 1809/4885CTSB 2587/4885ALDH1A1 1938/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO TDP1 1099/4885CTSB 1746/4885ALDH1A1 2795/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 TDP1 1456/4885CTSB 2092/4885ALDH1A1 1321/4885

“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.