SCHEMBL6475172

SCHEMBL6475172

Cn1c(CCc2ccc(CN)cc2)nc2cc(C(=O)NN3CCC(NC(=O)c4ccccc4)CC3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
F2 P00734 1/20 0.45
DRD4 P21917 3/20 0.44
HDAC1 Q13547 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC6 Q9UBN7 6/20 0.44
HDAC8 Q9BY41 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6482629 0.92 F2 (0.55) POLBF2DRD4HDAC1NPC1
Hydrochloric Acid SCHEMBL6474728 0.91 F2 (0.55) POLBF2DRD4HDAC1NPC1
SCHEMBL6475903 0.90 F2 (0.45) POLBF2DRD4HDAC1NPC1
SCHEMBL6480918 0.90 POLB (0.43) POLBF2DRD4HDAC1NPC1
SCHEMBL8361162 0.89 KMT2A (0.48) POLBF2DRD4HDAC1NPC1
SCHEMBL6484203 0.88 F2 (0.44) POLBF2DRD4HDAC1NPC1
SCHEMBL6484207 0.87 F2 (0.45) POLBF2DRD4HDAC1NPC1
SCHEMBL6475950 0.83 F10 (0.48) POLBF2NPC1RAB9ASMN1; SMN2
SCHEMBL6476545 0.82 F2 (0.50) F2HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL6474788 0.82 F2 (0.55) F2HDAC1NPC1RAB9AHDAC6

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-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US claimed
US-6855713-B2 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-10 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-20030130265-A1 Benzimidazole derivatives, a process for their manufacture and use as a medicine TPSAB1, PRSS3, TPSD1 POLB 2209/4885F2 101/4885DRD4 1875/4885

“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.