SCHEMBL4873515

SCHEMBL4873515

NC(=O)c1ccccc1Cl.[H+]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 5/20 0.56
POLB P06746 2/20 0.56
KMT2A Q03164 2/20 0.55
ATM Q13315 1/20 0.55
HPGD P15428 4/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50

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 SCHEMBL4100055 0.98 CES2 (0.60) CES2CES1ALDH1A1KDM4EPOLB
SCHEMBL263770 0.98 CES2 (0.65) CES2CES1ALDH1A1KDM4EPOLB
SCHEMBL29843413 0.98 CES2 (0.65) CES2CES1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL4373213 0.95 CES2 (0.62) CES2CES1ALDH1A1KDM4EPOLB
Hydrochloric Acid SCHEMBL404721 0.95 CES2 (0.62) CES2CES1ALDH1A1KDM4EPOLB
SCHEMBL3946947 0.91 CES2 (0.58) CES2CES1ALDH1A1KDM4EPOLB
SCHEMBL28865485 0.89 CES2 (0.56) CES2CES1ALDH1A1KDM4EPOLB
Acetic Acid SCHEMBL29291113 0.89 ALDH1A1 (0.59) CES2CES1ALDH1A1KDM4EPOLB
Benzamide SCHEMBL9171626 0.87 POLB (0.64) CES2CES1ALDH1A1KDM4EPOLB
Monoethanolamine SCHEMBL28081138 0.86 CES2 (0.52) CES2CES1ALDH1A1KDM4EPOLB

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.