SCHEMBL8098064

SCHEMBL8098064

CCc1c(N)cccc1Cc1ccccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
AR P10275 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
PIK3CA P42336 1/20 0.34
FDPS P14324 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2213750 0.94 GABRA1 (0.44) GABRA1GABRB2SLC6A2SLC6A4ALDH1A1
SCHEMBL890397 0.85 CYP3A4 (0.39) SLC6A2SLC6A4ARALDH1A1CYP3A4
SCHEMBL9563230 0.85 ALDH1A1 (0.35) GABRA1GABRB2SLC6A2SLC6A4AR
SCHEMBL17745127 0.84 GABRA1 (0.40) GABRA1GABRB2ARALDH1A1CYP3A4
SCHEMBL165995 0.83 GABRA1 (0.46) GABRA1GABRB2ALDH1A1CYP3A4ALOX15
SCHEMBL6436719 0.81 GABRA1 (0.44) GABRA1GABRB2ALDH1A1CYP3A4ALOX15
Ammonia Solution, Strong SCHEMBL7468688 0.81 GABRA1 (0.44) GABRA1GABRB2ALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL8136588 0.81 GABRA1 (0.44) GABRA1GABRB2ALDH1A1CYP3A4ALOX15
SCHEMBL7624528 0.81 GABRA1 (0.44) GABRA1GABRB2SLC6A2SLC6A4AR
Butane SCHEMBL14335706 0.81 CYP3A4 (0.43) GABRA1GABRB2SLC6A2SLC6A4AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209168-B2 Polyurethane foam premixes containing halogenated olefin blowing agents and foams made from same HONEYWELL INTERNATIONAL INC. (US) 2025-01-28 US claimed
US-12209168-B2 Polyurethane foam premixes containing halogenated olefin blowing agents and foams made from same HONEYWELL INTERNATIONAL INC. (US) 2025-01-28 US disclosed
US-11730717-B1 Melanin-inspired antimicrobial The Board of Regents for the Oklahoma Agricultural and Mechanical Colleges (US) 2023-08-22 US disclosed
US-6127460-A COMPRISING A LIQUID EPOXY RESIN, A LIQUID ALKYLATED DIAMINODIPHENYLMETHANE, AN EPOXIDIZED POLYBUTADIENE ELASTOMER, AND AN INORGANIC FILLER; FOR POTTING SEMICONDUCTORS SUMITOMO BAKELITE CO., LTD. (JP) 2000-10-03 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-11730717-B1 Melanin-inspired antimicrobial TYR, MCHR1, EEA1 GABRA1 879/4885GABRB2 1370/4885SLC6A2 1177/4885

“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.