SCHEMBL17517537

SCHEMBL17517537

Clc1ccc(-c2nccc3c4ccccc4n(CCCCCCn4c5ccccc5c5ccnc(-c6ccc(Cl)nc6)c54)c23)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.47
▸ MAOA P21397 9/20 0.45
▸ MAOB P27338 9/20 0.45
▸ ACHE P22303 2/20 0.45
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GRIN1 Q05586 7/20 0.37
▸ GRIN2A Q12879 7/20 0.37
▸ GRIN2B Q13224 7/20 0.37

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
SCHEMBL20340633 0.94 MCL1 (0.50) MCL1MAOAMAOBACHEMEN1
SCHEMBL17517534 0.86 MCL1 (0.47) MCL1MAOAMAOBACHEGRIN1
SCHEMBL17102971 0.83 MAOA (0.53) MCL1MAOAMAOBACHE
SCHEMBL17122539 0.83 MCL1 (0.47) MCL1MEN1KMT2A
SCHEMBL17102969 0.81 MAOA (0.51) MCL1MAOAMAOBACHE
SCHEMBL28805497 0.81 MCL1 (0.46) MCL1MAOAMAOB
SCHEMBL20340627 0.79 MCL1 (0.50) MCL1MAOAMAOBACHE
SCHEMBL17517557 0.79 MCL1 (0.50) MCL1MAOAMAOBACHEGRIN1
SCHEMBL17102962 0.79 MCL1 (0.50) MCL1MAOAMAOBACHEGRIN1
SCHEMBL17102972 0.79 MCL1 (0.50) MCL1MAOAMAOBACHEGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2018-07-03 — — US disclosed
US-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF XINJIANG HUASHIDAN PHARMACEUTICAL RESEARCH CO., LTD (CN) 2016-02-11 — — 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 (2 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-20160039845-A1 BIS-B-CARBOLINE COMPOUND AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF BRCA1, CA7, DCK MCL1 205/4885MAOA 3499/4885MAOB 1253/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK MCL1 209/4885MAOA 3791/4885MAOB 2309/4885

“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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