SCHEMBL20898566

SCHEMBL20898566

C=Cc1c([N+](=O)[O-])ccc2c1NCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SRC P12931 1/20 0.34
MAPT P10636 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
PNMT P11086 2/20 0.33
ALDH3A1 P30838 1/20 0.32
ADRA2A P08913 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL20898871 0.79 HTR2A (0.54) HTR2AHTR2CHTR2BALDH1A1CYP3A4
SCHEMBL10400093 0.75 SRC (0.47) ALDH1A1CYP3A4ALOX15HSD17B10SRC
SCHEMBL20898080 0.75 IMPDH2 (0.35) SRCCA12CA1CA2CA9
SCHEMBL22390017 0.70 NSD2 (0.39) HTR2AHTR2CHTR2BALDH1A1CYP3A4
SCHEMBL6535829 0.70 KMT2A (0.58) ALDH1A1SRCCA1CA2MEN1
SCHEMBL7659242 0.69 HTR2A (0.45) HTR2AHTR2CHTR2BALDH1A1CYP3A4
SCHEMBL19511770 0.69 SRC (0.46) ALDH1A1ALOX15HSD17B10SRCMAPT
SCHEMBL8349148 0.69 HTR2A (0.42) HTR2AHTR2CHTR2BALDH1A1CYP3A4
SCHEMBL4948275 0.67 MAPT (0.38) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL13993102 0.67 ALDH1A1 (0.38) HTR2AHTR2CHTR2BALDH1A1ALOX15

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
US-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-09-03 US disclosed
EP-3694485-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2020-08-19 EP disclosed
WO-2019072697-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION L'OREAL (FR) 2019-04-18 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-20200276102-A1 SPECIFIC 7-AMINO-1,2,3,4-TETRAHYDROQUINOLINES, METHOD, AND COMPOSITION KRT18, TUBA1C, TPM4 HTR2A 1119/4885HTR2C 334/4885HTR2B 744/4885

“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.