SCHEMBL4903858

SCHEMBL4903858

COc1ccc2c3c([nH]c2c1)C(=O)NCC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.80
▸ HPGD P15428 4/20 0.80
▸ ALDH1A1 P00352 4/20 0.80
▸ MAPT P10636 4/20 0.80
▸ MTNR1A P48039 1/20 0.80
▸ MTNR1B P49286 1/20 0.80
▸ NCOA1 Q15788 1/20 0.61
▸ NCOA3 Q9Y6Q9 1/20 0.61
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CYP1A2 P05177 3/20 0.60
▸ HTT P42858 2/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ LMNA P02545 2/20 0.57
▸ HTR7 P34969 2/20 0.56
▸ GLA P06280 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ CASP1 P29466 2/20 0.56

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
Hydrochloric Acid SCHEMBL4901475 0.99 KDM4E (0.78) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL34463671 0.89 KDM4E (1.00) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL3033917 0.89 KDM4E (1.00) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL34463669 0.89 KDM4E (1.00) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL24453938 0.83 KDM4E (0.56) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL7252271 0.81 KDM4E (0.60) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL6236714 0.81 KDM4E (0.85) KDM4EHPGDALDH1A1MAPTMTNR1A
Hydrochloric Acid SCHEMBL6351333 0.80 KDM4E (0.83) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL4109708 0.79 HSD17B10 (0.59) KDM4EHPGDALDH1A1MAPTMTNR1A
SCHEMBL940853 0.78 KDM4E (0.65) KDM4EHPGDALDH1A1MAPTMTNR1A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080069899-A1 Pharmaceutical Compositions Comprising Beta-Carboline Derivatives and Use Thereof for the Treatment of Cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-03-20 — — US claimed
WO-2022009236-A1 HERBAL MEDICINE FOR THE TREATMENT OF COVID-19 HADDADI MOZHDEH (IR) 2022-01-13 — — WO disclosed
US-20080069899-A1 Pharmaceutical Compositions Comprising Beta-Carboline Derivatives and Use Thereof for the Treatment of Cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-03-20 — — US disclosed
US-20080069899-A1 Pharmaceutical Compositions Comprising Beta-Carboline Derivatives and Use Thereof for the Treatment of Cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-03-20 — — US disclosed
US-20080069899-A1 Pharmaceutical Compositions Comprising Beta-Carboline Derivatives and Use Thereof for the Treatment of Cancer CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-03-20 — — US disclosed
EP-1740212-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING BETA-CARBOLINE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER The Centre National de la Recherche Scientifique (FR) 2007-01-10 — — EP disclosed
WO-2005115470-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING β-CARBOLINE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-12-08 — — WO disclosed
WO-2005115470-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING β-CARBOLINE DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2005-12-08 — — WO disclosed
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 — — US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 — — 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 (3 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 KDM4E 1947/4885HPGD 1729/4885ALDH1A1 4386/4885
US-20080069899-A1 Pharmaceutical Compositions Comprising Beta-Carboline Derivatives and Use Thereof for the Treatment of Cancer NDUFB5, ADRB1, ADRB2 KDM4E 2807/4885HPGD 443/4885ALDH1A1 220/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 KDM4E 2254/4885HPGD 1858/4885ALDH1A1 3919/4885

“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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