SCHEMBL4880434

SCHEMBL4880434

NC(=O)c1ccccc1F.[H+]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.62
CES1 P23141 3/20 0.62
ALDH1A1 P00352 4/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DGAT1 O75907 1/20 0.50
METAP2 P50579 1/20 0.50
HTT P42858 1/20 0.49
NPC1 O15118 2/20 0.48
BCAT2 O15382 1/20 0.48
RAB9A P51151 1/20 0.47
PTPN1 P18031 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
SCHEMBL29482931 0.98 CES2 (0.65) CES2CES1ALDH1A1ALOX15MAPT
SCHEMBL80721 0.98 CES2 (0.65) CES2CES1ALDH1A1ALOX15MAPT
SCHEMBL31376157 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL28526382 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
Water SCHEMBL27623262 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL4376678 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
Bromide SCHEMBL31218183 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
SCHEMBL2392049 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
SCHEMBL31376156 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT
Hydrochloric Acid SCHEMBL2112522 0.95 CES2 (0.62) CES2CES1ALDH1A1ALOX15MAPT

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 CES2 2377/4885CES1 1141/4885ALDH1A1 672/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 CES2 2377/4885CES1 1141/4885ALDH1A1 672/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI CES2 1470/4885CES1 619/4885ALDH1A1 316/4885

“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.