SCHEMBL17047653

SCHEMBL17047653

C=CCN(CC=C)c1ccc(Br)cc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.39
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1D P25100 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR1E P28566 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL2221665 0.81 CASP1 (0.34) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL29499603 0.81 CASP1 (0.34) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL5991120 0.80 CASP1 (0.33) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL10626050 0.79 KMT2A (0.50) HTR1AADRA2ADRD2ADRA2BADRA2C
SCHEMBL17047670 0.76 S100B (0.44) ALDH1A1MAPTLMNAMAPK1TSHR
SCHEMBL25641569 0.75 PYCR1 (0.39) PYCR1HTR1AADRA2ADRD2ADRA2B
SCHEMBL556848 0.73 C5AR1 (0.37) ALDH1A1LMNASMN1; SMN2TSHRKDM4E
SCHEMBL17047624 0.73 ALDH3A1 (0.46) SLC6A2CRHR1ALDH1A1MAPTKDM4E
SCHEMBL9999846 0.72 ALDH1A1 (0.40) CRHR1ALDH1A1MAPTMAPK1TSHR
SCHEMBL16388499 0.71 HRH4 (0.35) HTR2AHTR2CALDH1A1TSHRKDM4E

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-10301258-B2 Benzende sulfonamide derivatives as HIV integrase inhibitors HOWARD UNIVERSITY (US) 2019-05-28 US disclosed
US-20170008839-A1 BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS HOWARD UNIVERSITY (US) 2017-01-12 US disclosed
WO-2015130947-A1 BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS HOWARD UNIVERSITY (US) 2015-09-03 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 (2 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-20170008839-A1 BENZENDE SULFONAMIDE DERIVATIVES AS HIV INTEGRASE INHIBITORS NR2E3, NR2E1, PIM3 PYCR1 1933/4885HTR1A 2723/4885ADRA2A 2210/4885
US-10301258-B2 Benzende sulfonamide derivatives as HIV integrase inhibitors NR2E3, NR2E1, PIM3 PYCR1 1933/4885HTR1A 2723/4885ADRA2A 2210/4885

“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.