SCHEMBL5571885

SCHEMBL5571885

Cc1cc(Cl)c(CCCOS(C)(=O)=O)c(Nc2ccc(Cl)cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
CNR2 P34972 1/20 0.37
S1PR4 O95977 1/20 0.36
SRC P12931 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 5/20 0.35
KDR P35968 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34

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
SCHEMBL3270971 0.87 THRB (0.38) THRBCNR2S1PR4SRCHDAC3
SCHEMBL4769088 0.81 THRB (0.38) THRBCNR2SRCHDAC3KDR
SCHEMBL5496988 0.69 SMO (0.36) GAAKDRMAPTLMNAKMT2A
SCHEMBL1924989 0.66 KDM4E (0.47) LMNAKMT2ASMN1; SMN2
SCHEMBL11046462 0.65 ALDH1A1 (0.40) LMNA
SCHEMBL5843131 0.65 CNR2 (0.39) THRBCNR2S1PR4SRCGAA
SCHEMBL5640956 0.65 MAPT (0.55) S1PR4HPGDMAPTLMNAKMT2A
SCHEMBL11270981 0.65 MAPT (0.55) S1PR4HPGDMAPTKMT2ASMN1; SMN2
SCHEMBL2953341 0.65 ALDH1A1 (0.43) S1PR4MAPTKMT2ASMN1; SMN2
SCHEMBL2189399 0.65 THRB (0.43) THRBCNR2SRCGAAKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-01-25 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-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR1, NR3C2, CRHR2 THRB 472/4885CNR2 14/4885S1PR4 894/4885

“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.