SCHEMBL21399747

SCHEMBL21399747

c1ccc2c(c1)-c1cccc3[nH]cc(c13)C2c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2A P28223 4/20 0.47
HTR2B P41595 3/20 0.47
KCNA3 P22001 1/20 0.47
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
PDE1C Q14123 1/20 0.44
ADRB2 P07550 1/20 0.43
SLC6A4 P31645 1/20 0.40
CYP3A4 P08684 2/20 0.40
MEN1 O00255 1/20 0.40
AHR P35869 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IDO1 P14902 3/20 0.39
AR P10275 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39

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
SCHEMBL27791302 0.90 HTR2C (0.56) HTR2CHTR2AHTR2BKCNA3MAPT
SCHEMBL8622033 0.73 HTR2C (0.53) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL30008472 0.73 HTR2C (0.53) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL6675754 0.68 KDM1A (0.53) HTR2AMAPTALDH1A1SLC6A4CYP3A4
SCHEMBL27935293 0.67 HTR2A (0.44) HTR2AALDH1A1SLC6A4MEN1KMT2A
SCHEMBL15402269 0.67 KIF11 (0.50) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL3264451 0.67 ALDH1A1 (0.69) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL8434064 0.66 PDE1C (0.50) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL29439898 0.66 GAA (0.55) HTR2CHTR2AHTR2BMAPTALDH1A1
SCHEMBL11981401 0.66 GAA (0.48) HTR2CHTR2AHTR2BMAPTALDH1A1

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-20210024499-A1 OXIDIZED BIS(3-INDOLYL)METHANES AND USES THEREOF XIAMEN UNIVERSITY (CN) 2021-01-28 US disclosed
WO-2019183527-A1 OXIDIZED BIS(3-INDOLYL)METHANES AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2019-09-26 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-20210024499-A1 OXIDIZED BIS(3-INDOLYL)METHANES AND USES THEREOF BCL2, BCOR, BCLAF1 HTR2C 2470/4885HTR2A 2108/4885HTR2B 2536/4885

“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.