SCHEMBL3870822

SCHEMBL3870822

Cc1ccccc1C(N)=O.[H+]

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 3/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SIRT3 Q9NTG7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
METAP2 P50579 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MYC P01106 1/20 0.48
BCAT2 O15382 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47

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
Hydrochloric Acid SCHEMBL3870754 0.98 SIRT3 (0.53) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL6099 0.98 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL1558192 0.98 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EMAPTTSHR
Hydroxyamine SCHEMBL8105651 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL2915134 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
Methylamine SCHEMBL28283262 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL7029926 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
Hydrochloric Acid SCHEMBL4369214 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL28394928 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR
Water SCHEMBL27485902 0.95 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7498333-B2 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2009-03-03 US disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 US disclosed
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
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 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 (7 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 ALDH1A1 672/4885HPGD 1457/4885KDM4E 1170/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 ALDH1A1 672/4885HPGD 1457/4885KDM4E 1170/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS ALDH1A1 172/4885HPGD 283/4885KDM4E 3363/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 ALDH1A1 293/4885HPGD 71/4885KDM4E 2760/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 ALDH1A1 214/4885HPGD 93/4885KDM4E 2980/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 ALDH1A1 214/4885HPGD 93/4885KDM4E 2980/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI ALDH1A1 316/4885HPGD 1489/4885KDM4E 1040/4885

“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.