SCHEMBL6519781

SCHEMBL6519781

COc1cc2c(C(=O)O)c(CN3CCCCC3)n(C)c2cc1Br

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.77
KMT2A Q03164 5/20 0.65
HTT P42858 1/20 0.63
MEN1 O00255 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 6/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 1/20 0.46
SPR P35270 1/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 1/20 0.46
HTR2A P28223 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
P4HB P07237 1/20 0.43

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
SCHEMBL2863772 0.87 TSHR (1.00) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL14158941 0.76 KMT2A (1.00) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL6524004 0.76 KMT2A (0.60) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL14621743 0.72 ALDH1A1 (0.59) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL21496376 0.71 ALDH1A1 (0.82) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL28442067 0.71 KMT2A (0.53) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL6521808 0.71 KMT2A (0.53) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL25946349 0.70 ALDH1A1 (0.74) TSHRKMT2AHTTMEN1L3MBTL1
Hydrochloric Acid SCHEMBL21494140 0.70 ALDH1A1 (0.80) TSHRKMT2AHTTMEN1L3MBTL1
SCHEMBL13953835 0.70 TSHR (0.50) TSHRKMT2AHTTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065919-A1 5-Substituted Indol-3-Carboxylic Acid Derivatives Exhibiting Antiviral Activity a Method for the Production and Use Thereof OOO "BINATEKH" (RU) 2011-03-17 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-20110065919-A1 5-Substituted Indol-3-Carboxylic Acid Derivatives Exhibiting Antiviral Activity a Method for the Production and Use Thereof CBR3, IFNAR1, SIGMAR1 TSHR 56/4885KMT2A 4466/4885HTT 4136/4885

“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.