Sugi Predict

Sugi Predict / Compounds / SCHEMBL2999281

SCHEMBL2999281

SCHEMBL2999281

c1cc(-c2nn[nH]n2)cc(-n2c(-c3cc4ccccc4o3)cc3c2CCc2ccccc2-3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 1/20 0.42
▸ SERPINE1 P05121 1/20 0.38
▸ AKR1C3 P42330 1/20 0.36
▸ TDP2 O95551 1/20 0.36
▸ GP6 Q9HCN6 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ IDO1 P14902 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ PFKFB3 Q16875 1/20 0.32
▸ CYSLTR2 Q9NS75 1/20 0.32
▸ CYSLTR1 Q9Y271 1/20 0.32
▸ KCNK2 O95069 1/20 0.32

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 0.85 SERPINE1 (0.52) SERPINE1AKR1C3TDP2GP6IDO1
SCHEMBL2988802 0.82 SERPINE1 (0.40) SERPINE1AKR1C3TDP2GP6IDO1
SCHEMBL2994258 0.82 KDM4E (0.42) SERPINE1AKR1C3TDP2GP6IDO1
SCHEMBL2991573 0.82 SERPINE1 (0.46) SERPINE1AKR1C3TDP2GP6IDO1
SCHEMBL12091887 0.81 SERPINE1 (0.38) SERPINE1VCPALDH1A1MEN1KMT2A
SCHEMBL2996135 0.80 CYP2A6 (0.46) SERPINE1AKR1C3TDP2GP6IDO1
SCHEMBL2993175 0.78 SERPINE1 (0.48) SERPINE1ALDH1A1MEN1KMT2AHPGD
SCHEMBL13874796 0.76 SERPINE1 (0.38) SERPINE1VCPALDH1A1MEN1KMT2A
SCHEMBL14403817 0.73 SERPINE1 (0.36) SERPINE1MAOAMAOB
SCHEMBL13266044 0.72 GP6 (0.37) SERPINE1AKR1C3TDP2GP6IDO1

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 19 patents. 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-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 — — US disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 — — US disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 — — 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-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 — — 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 (6 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 GPR35 849/4885SERPINE1 4169/4885AKR1C3 2791/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC GPR35 2638/4885SERPINE1 4871/4885AKR1C3 1145/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC GPR35 2638/4885SERPINE1 4871/4885AKR1C3 1145/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO GPR35 4137/4885SERPINE1 4873/4885AKR1C3 720/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 GPR35 2353/4885SERPINE1 4847/4885AKR1C3 458/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 GPR35 1488/4885SERPINE1 4841/4885AKR1C3 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.