SCHEMBL8738280

SCHEMBL8738280

CC(=O)Cc1cnc(Cc2ccc(NC(=O)CC(C)C)cc2)nc1N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
PTPN1 P18031 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
BRPF1 P55201 1/20 0.39
MAPK14 Q16539 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NR4A1 P22736 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1009693 0.93 ALDH1A1 (0.42) ALDH1A1PTPN1GAASMN1; SMN2NPC1
SCHEMBL1010430 0.92 ALDH1A1 (0.41) ALDH1A1PTPN1GAASMN1; SMN2NPC1
SCHEMBL8737650 0.80 SMN1; SMN2 (0.49) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL8737654 0.79 MAPT (0.43) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL1009843 0.79 MAPT (0.40) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL8737657 0.77 PTGDR2 (0.47) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL6016977 0.76 EGLN1 (0.32)
SCHEMBL1009769 0.73 NPC1 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1012029 0.73 PTGDR2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL13107585 0.73 MAPT (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1

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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 ALDH1A1 1778/4885PTPN1 3456/4885GAA 1125/4885

“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.