SCHEMBL5151137

SCHEMBL5151137

O=C(O)Cc1ccc2nc[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HPGD P15428 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ CTNNB1 P35222 1/20 0.52
▸ WNT3A P56704 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.50
▸ CCNE1 P24864 1/20 0.49
▸ CDK2 P24941 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ PRKCI P41743 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL980102 0.87 KDM4E (0.53) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL23675135 0.85 NAMPT (0.50) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL15558786 0.83 CTNNB1 (0.68) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL29902860 0.81 NAMPT (0.56) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL29902873 0.81 NAMPT (0.56) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL7399036 0.80 POLB (0.70) NAMPTKDM4EHTTRAB9ASMN1; SMN2
SCHEMBL496967 0.80 IP6K1 (0.65) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL3154557 0.79 P2RY14 (0.53) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL26686922 0.79 PRKCI (0.53) NAMPTALDH1A1KDM4EHPGDHTT
SCHEMBL31226001 0.78 ABCC4 (0.49) NAMPTALDH1A1KDM4EHPGDHTT

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-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 SLOAN KETTERING INST CANCER RES (US) 2023-03-02 — — US disclosed
US-10336757-B2 Treatment of neurodegenerative diseases through inhibition of HSP90 SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2019-07-02 — — US disclosed
EP-3305297-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITION OF HSP90 Sloan-Kettering Institute for Cancer Research (US) 2018-04-11 — — EP disclosed
US-20140378452-A1 Treatment of Neurodegenerative Diseases Through Inhibition of HSP90 NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2014-12-25 — — US disclosed
US-20090298857-A1 Treatment of Neurodegenerative Diseases Through Inhibition of HSP90 SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-03 — — US disclosed
US-7186720-B2 Tetrahydropyridyl-alkyl-heterocycles, method for preparing the same and pharmaceutical compositions containing the same SANOFI-AVENTIS (FR) 2007-03-06 — — US disclosed
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2004-07-15 — — 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 (5 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-10336757-B2 Treatment of neurodegenerative diseases through inhibition of HSP90 HSP90AB1, HSP90B1, HSP90AA1 NAMPT 116/4885ALDH1A1 1851/4885KDM4E 4392/4885
US-20040138264-A1 Tetrahydropyridly-alkyl-heterocycles, method for preparing same and pharmaceutical compositions containing same CYP2F1, CYP11B1, CYP11B2 NAMPT 773/4885ALDH1A1 1579/4885KDM4E 2820/4885
US-20140378452-A1 Treatment of Neurodegenerative Diseases Through Inhibition of HSP90 HSP90AB1, HSP90B1, HSP90AA1 NAMPT 116/4885ALDH1A1 1851/4885KDM4E 4392/4885
US-20090298857-A1 Treatment of Neurodegenerative Diseases Through Inhibition of HSP90 HSP90AB1, HSP90B1, HSP90AA1 NAMPT 116/4885ALDH1A1 1851/4885KDM4E 4392/4885
US-20230060990-A1 TREATMENT OF NEURODEGENERATIVE DISEASES THROUGH INHIBITON OF HSP90 HSP90B1, HSP90AB1, HSP90AB2P NAMPT 296/4885ALDH1A1 1998/4885KDM4E 4480/4885

“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.

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