SCHEMBL3400592

SCHEMBL3400592

c1ccc2c(-c3nccc4c3[nH]c3ccccc34)c[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 4/20 1.00
HTR5A P47898 4/20 1.00
HTR2C P28335 2/20 1.00
BCHE P06276 2/20 0.65
TDO2 P48775 11/20 0.63
IDO1 P14902 4/20 0.58
CCNB2 O95067 1/20 0.58
CDK1 P06493 1/20 0.58
CCNB1 P14635 1/20 0.58
CCNA2 P20248 1/20 0.58
CDK2 P24941 1/20 0.58
CCNA1 P78396 1/20 0.58
CDK5 Q00535 1/20 0.58
CDK5R1 Q15078 1/20 0.58
CCNB3 Q8WWL7 1/20 0.58
PIM1 P11309 1/20 0.56
PARP14 Q460N5 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
GABRP O00591 1/20 0.54

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
SCHEMBL29959679 1.00 HTR2B (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL27817460 0.84 TDO2 (0.80) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL29130512 0.80 BCHE (0.71) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL13003646 0.79 HTR2B (0.64) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL29130522 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL28811802 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL17102943 0.79 BCHE (0.69) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL24105915 0.78 TDO2 (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL30431392 0.78 TDO2 (1.00) HTR2BHTR5AHTR2CBCHETDO2
SCHEMBL8704484 0.76 HTR2C (0.61) HTR2BHTR5AHTR2CBCHETDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093410-B Preparation method of beta-carboline compound 南京工业大学 2023-09-26 CN disclosed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN disclosed
US-20120283282-A1 Photoproducts of Tryptophan, Their Synthesis and Uses Thereof RIFKIND ARLEEN (US) 2012-11-08 US disclosed
US-20120283282-A1 Photoproducts of Tryptophan, Their Synthesis and Uses Thereof RIFKIND ARLEEN (US) 2012-11-08 US disclosed
US-20120283282-A1 Photoproducts of Tryptophan, Their Synthesis and Uses Thereof RIFKIND ARLEEN (US) 2012-11-08 US disclosed
WO-2010148350-A1 PHOTOPRODUCTS OF TRYPTOPHAN, THEIR SYNTHESIS AND USES THEREOF CORNELL UNIVERSITY (US) 2010-12-23 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 (1 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-20120283282-A1 Photoproducts of Tryptophan, Their Synthesis and Uses Thereof AHR, ARNT, TPH1 HTR2B 152/4885HTR5A 113/4885HTR2C 89/4885

“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.