SCHEMBL17517482

SCHEMBL17517482

c1ccc2c(c1)c1ccncc1n2Cn1c2ccccc2c2ccncc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAOA P21397 4/20 0.57
MAOB P27338 4/20 0.57
ACHE P22303 2/20 0.57
IDO1 P14902 1/20 0.54
CYP2D6 P10635 1/20 0.49
HDAC2 Q92769 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM4E B2RXH2 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
CYP19A1 P11511 1/20 0.42
SLC6A2 P23975 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
GUSB P08236 1/20 0.41
BACE1 P56817 2/20 0.41
PPARG P37231 2/20 0.40

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
SCHEMBL17517483 0.89 MAOA (0.67) CYP1A2CYP2C19MAOAMAOBACHE
SCHEMBL12464615 0.85 MAOA (0.63) CYP1A2CYP2C19MAOAMAOBACHE
SCHEMBL17502355 0.85 MAOA (0.78) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL2220005 0.85 ALDH1A1 (0.55) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL17502374 0.84 MAOA (0.81) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL17517489 0.84 MAOA (0.81) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL17502362 0.84 MAOA (0.81) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL17502364 0.84 MAOA (0.81) MAOAMAOBACHEIDO1CYP2D6
SCHEMBL1120319 0.83 KDM4E (0.72) MAOAMAOBACHEIDO1HDAC2
SCHEMBL1120327 0.82 MAOA (0.59) CYP1A2CYP2C19MAOAMAOBACHE

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 CYP1A2 401/4885CYP2C19 204/4885MAOA 3499/4885
US-10011614-B2 Bis-β-carboline compound and preparation method, pharmaceutical composition and use thereof BRCA1, CA7, DCK CYP1A2 472/4885CYP2C19 251/4885MAOA 3791/4885

“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.