SCHEMBL15380913

SCHEMBL15380913

Cn1c(Nc2cc(CNC3(C)CCCCC3)ccc2Cl)nc2cc(C(=O)NCC3CCCO3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
PTGES O14684 2/20 0.46
HPGD P15428 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
RAB9A P51151 2/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.42
ROCK2 O75116 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3101879 0.94 PTGES (0.47) KMT2APTGESHPGDSMN1; SMN2ALDH1A1
SCHEMBL15380429 0.87 PTGES (0.45) PTGES
SCHEMBL15380924 0.84 HDAC6 (0.42) KMT2APTGESSMN1; SMN2ALDH1A1MEN1
SCHEMBL3094243 0.82 IDH1 (0.44) KMT2APTGESHPGDSMN1; SMN2ALDH1A1
SCHEMBL3109449 0.82 PTGES (0.54) PTGESHPGDALDH1A1KDM4E
SCHEMBL3100803 0.82 PTGES (0.54) PTGESHPGDALDH1A1KDM4E
SCHEMBL11961904 0.82 PTGES (0.47) KMT2APTGESHPGDSMN1; SMN2ALDH1A1
SCHEMBL3111197 0.81 PTGES (0.54) PTGESHPGDALDH1A1KDM4E
SCHEMBL13393170 0.81 HPGD (0.54) KMT2APTGESHPGDSMN1; SMN2ALDH1A1
SCHEMBL11894984 0.80 PTGES (0.47) KMT2APTGESALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 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-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX KMT2A 3186/4885PTGES 307/4885HPGD 2331/4885

“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.