SCHEMBL2991573

SCHEMBL2991573

c1cc(-c2nn[nH]n2)cc(-n2c(-c3ccncc3)cc3c2CCc2ccccc2-3)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
GP6 Q9HCN6 1/20 0.40
AKR1C3 P42330 1/20 0.40
KDM4C Q9H3R0 3/20 0.38
KDM5B Q9UGL1 1/20 0.38
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.35
TDP2 O95551 1/20 0.35
CYP2A6 P11509 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
HPGDS O60760 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNK2 O95069 1/20 0.34
KCNK10 P57789 1/20 0.34
KCNK18 Q7Z418 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL2994214 0.94 SERPINE1 (0.52) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL2996135 0.90 CYP2A6 (0.46) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL2994258 0.87 KDM4E (0.42) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL2988802 0.82 SERPINE1 (0.40) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL2999281 0.82 GPR35 (0.42) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL12092435 0.78 GP6 (0.49) GP6AKR1C3IDO1ALDH1A1LMNA
SCHEMBL2993810 0.78 SERPINE1 (0.60) SERPINE1ALDH1A1LMNAMEN1KMT2A
SCHEMBL13266045 0.76 AKR1C3 (0.36) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL13266044 0.75 GP6 (0.37) SERPINE1GP6AKR1C3KDM4CKDM5B
SCHEMBL12091650 0.74 SERPINE1 (0.65) SERPINE1ALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP 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
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 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-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-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 SERPINE1 4169/4885GP6 3947/4885AKR1C3 2791/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC SERPINE1 4871/4885GP6 1990/4885AKR1C3 1145/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO SERPINE1 4873/4885GP6 3862/4885AKR1C3 720/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 SERPINE1 4841/4885GP6 4113/4885AKR1C3 635/4885

“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.