SCHEMBL3628082

SCHEMBL3628082

CC(C)c1cccc(C(N)=O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.44
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
LMNA P02545 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 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
SCHEMBL6183162 0.85 GABRA1 (0.43) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL5432827 0.85 G6PD (0.55) HPGDTSHRGABRA1GABRG2GABRB3
SCHEMBL105262 0.84 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL31632660 0.84 IRAK4 (0.55) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL17786090 0.82 IRAK4 (0.44) IRAK4HPGDTSHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7849679 0.82 IRAK4 (0.53) IRAK4HPGDTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL28294057 0.82 IRAK4 (0.53) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL20425250 0.81 IRAK4 (0.42) IRAK4HPGDTSHRKDM4EALDH1A1
SCHEMBL24692389 0.81 IRAK4 (0.44) IRAK4HPGDTSHRGABRA1GABRG2
SCHEMBL19329438 0.81 GABRA1 (0.59) IRAK4HPGDTSHRGABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103749482-B High-quality bentazone aqueous solution and preparation method thereof 江苏天容集团股份有限公司 2017-01-18 CN disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed
US-7838676-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-11-23 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 IRAK4 837/4885HPGD 826/4885TSHR 3449/4885

“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.