SCHEMBL6507988

SCHEMBL6507988

COC(=O)CCn1c(Cl)nc2c(C)cccc21.[LiH]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
TLR8 Q9NR97 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPY1R P25929 5/20 0.38
KMT2A Q03164 1/20 0.38
PIN1 Q13526 1/20 0.37
CASP3 P42574 1/20 0.37
DYRK1A Q13627 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.36
P2RX3 P56373 2/20 0.36

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
SCHEMBL6506620 0.81 KDM4E (0.52) CTNNB1KDM4EALDH1A1KMT2APIN1
SCHEMBL6829039 0.79 KDM4E (0.53) CTNNB1KDM4EALDH1A1KMT2APIN1
SCHEMBL6139477 0.77 P2RX3 (0.48) P2RX3
SCHEMBL7342724 0.73 L3MBTL1 (0.43) KDM4EALDH1A1KMT2APPARG
Hydrochloric Acid SCHEMBL8596989 0.70 MEN1 (0.42) CTNNB1KMT2ASMN1; SMN2P2RX3
SCHEMBL14616345 0.69 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2
SCHEMBL11681610 0.68 KDM4E (0.62) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL11604659 0.68 ALDH1A1 (0.71) CTNNB1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL31367787 0.68 FABP4 (0.64) CTNNB1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1004258 0.68 FABP4 (0.64) CTNNB1KDM4EALDH1A1SMN1; SMN2

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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2005-02-10 US disclosed
US-6794382-B2 6-OXO-5,6-DIHYDRO-4H-IMIDAZO(4,5,1-IJ)QUINOLINE DERIVATIVES AS INHIBITORS OF ADP-RIBOSYLTRANSFERASE; CARDIOVASCULAR, IMMUNOLOGICAL, RESPIRATORY SYSTEM, AND NEURODEGENERATIVE DISORDER TREATMENT SANOFI-SYNTHELABO (FR) 2004-09-21 US disclosed
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-10-30 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 (2 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-20050032779-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, CYP3A7, HDAC7 CTNNB1 3036/4885TLR8 696/4885PKN1 1907/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 CTNNB1 3416/4885TLR8 764/4885PKN1 2526/4885

“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.