SCHEMBL4881322

SCHEMBL4881322

COc1ccccc1C(N)=O.[H+]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.61
CTSD P07339 1/20 0.61
CTNNB1 P35222 1/20 0.58
HTT P42858 4/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 2/20 0.54
STAT3 P40763 1/20 0.53
HPGD P15428 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53

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
SCHEMBL264288 0.98 IRAK4 (0.63) IRAK4CTSDCTNNB1HTTCA12
SCHEMBL29423358 0.98 IRAK4 (0.63) IRAK4CTSDCTNNB1HTTCA12
Hydrochloric Acid SCHEMBL408014 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
SCHEMBL31174577 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
SCHEMBL31174576 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
Hydrochloric Acid SCHEMBL3144924 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
Hydrochloric Acid SCHEMBL4374712 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
Water SCHEMBL27147733 0.96 IRAK4 (0.61) IRAK4CTSDCTNNB1HTTCA12
Hydrochloric Acid SCHEMBL5151052 0.94 IRAK4 (0.59) IRAK4CTSDCTNNB1HTTCA12
Formaldehyde SCHEMBL28111271 0.94 IRAK4 (0.59) IRAK4CTSDCTNNB1HTTCA12

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-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 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 (3 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 IRAK4 2089/4885CTSD 3430/4885CTNNB1 2594/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 IRAK4 2089/4885CTSD 3430/4885CTNNB1 2594/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI IRAK4 2225/4885CTSD 3585/4885CTNNB1 1066/4885

“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.