SCHEMBL5957796

SCHEMBL5957796

NCc1ccc2c(c1)CCCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
RAD52 P43351 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
STS P08842 1/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
SMAD3 P84022 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Hydrochloric Acid SCHEMBL6259121 0.98 KMT2A (0.48) KMT2ARAD52RXFP1ADRA2AADRA2B
SCHEMBL5504129 0.98 KMT2A (0.47) KMT2ARAD52RXFP1ADRA2AADRA2B
SCHEMBL7410245 0.95 KMT2A (0.50) KMT2ARAD52RXFP1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL5957846 0.95 KMT2A (0.50) KMT2ARAD52RXFP1ADRA2AADRA2B
SCHEMBL29673223 0.95 KMT2A (0.50) KMT2ARAD52RXFP1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL5957935 0.93 KMT2A (0.53) KMT2ARAD52RXFP1ADRA2AADRA2B
SCHEMBL7862464 0.80 TPSAB1 (0.47) KMT2ARAD52RXFP1ADRA2AHSD17B10
SCHEMBL30496730 0.80 TAAR1 (0.47) ADRA2AADRA2BADRA2CHSD17B10KDM4E
SCHEMBL17186185 0.80 TAAR1 (0.47) ADRA2AADRA2BADRA2CHSD17B10KDM4E
SCHEMBL3440794 0.79 HRH3 (0.47) KMT2AHSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015188309-A1 6,7,8,9-四氢-5H-苯并[7]轮烯-2-烷基胺类化合物及其用途 6,7,8,9-TETRAHYDRO-5H-BENZO[7] ANNULENE-2-ALKYLAMINE COMPOUND AND USE THEREOF 华东理工大学 2015-12-17 WO disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 EP 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-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 KMT2A 2654/4885RAD52 2375/4885RXFP1 469/4885

“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.