SCHEMBL6506620

SCHEMBL6506620

COC(=O)CCn1c(Cl)nc2ccccc21.[LiH]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 3/20 0.51
HSD17B10 Q99714 2/20 0.50
CTNNB1 P35222 1/20 0.50
NPC1 O15118 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
DRD2 P14416 2/20 0.47
TBXA2R P21731 2/20 0.47
NOD1 Q9Y239 1/20 0.46
PIN1 Q13526 1/20 0.46
KMT2A Q03164 2/20 0.45
CASP3 P42574 1/20 0.44

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
SCHEMBL6829039 0.99 KDM4E (0.53) KDM4EALDH1A1LMNAHSD17B10CTNNB1
SCHEMBL8268180 0.85 KDM4E (0.67) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL14616345 0.83 ALDH1A1 (0.58) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL6507988 0.81 CTNNB1 (0.47) KDM4EALDH1A1CTNNB1SMN1; SMN2PIN1
SCHEMBL5884114 0.80 HPGD (0.65) KDM4EALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL9530643 0.77 KDM4E (0.62) KDM4ELMNANPC1SMN1; SMN2
SCHEMBL6139297 0.75 LMNA (0.56) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL11268441 0.75 POLB (0.65) KDM4EALDH1A1LMNAHSD17B10NPC1
SCHEMBL11632515 0.75 LMNA (0.64) KDM4ELMNASMN1; SMN2NOD1KMT2A
SCHEMBL3337960 0.74 TNF (0.55) KDM4EALDH1A1SMN1; SMN2MAPTKMT2A

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 KDM4E 2436/4885ALDH1A1 4006/4885LMNA 2282/4885
US-20030203893-A1 Benzimidazole derivatives, preparation and therapeutic use thereof CBR3, HRH4, CBR1 KDM4E 2704/4885ALDH1A1 3413/4885LMNA 2723/4885

“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.