SCHEMBL14217040

SCHEMBL14217040

NC(Cc1c[nH]c2ccccc12)C(=O)CO

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
MAPT P10636 2/20 0.74
MEN1 O00255 1/20 0.74
LMNA P02545 1/20 0.74
MPO P05164 1/20 0.74
TSHR P16473 1/20 0.74
BLM P54132 1/20 0.74
PMP22 Q01453 1/20 0.74
KMT2A Q03164 1/20 0.74
HIF1A Q16665 1/20 0.74
HTR2A P28223 2/20 0.59
ADRB1 P08588 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2C P28335 1/20 0.59
HTR1E P28566 1/20 0.59
SLC6A4 P31645 1/20 0.59

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
SCHEMBL13323168 0.87 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL13906881 0.87 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL22622531 0.87 KDM4E (0.72) KDM4EMAPTMEN1LMNAMPO
SCHEMBL31000526 0.86 KDM4E (0.74) KDM4EMAPTMEN1LMNAMPO
SCHEMBL20390111 0.86 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO
SCHEMBL12835419 0.86 KDM4E (0.70) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL23141133 0.85 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL475350 0.85 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO
SCHEMBL2726806 0.85 KDM4E (0.78) KDM4EMAPTMEN1LMNAMPO
Tryptophan SCHEMBL4732053 0.85 KMT2A (1.00) KDM4EMAPTMEN1LMNAMPO

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-9169247-B2 Tetrahydro-beta-carboline derivatives, synthesis and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2015-10-27 US disclosed
US-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2012-12-06 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 (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-20120309781-A1 TETRAHYDRO-beta-CARBOLINE DERIVATIVES, SYNTHESIS AND USE THEREOF PDE5A, PDE3A, PDE3B KDM4E 839/4885MAPT 2876/4885MEN1 623/4885

“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.