SCHEMBL10132780

SCHEMBL10132780

O=C(NCCc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.62
CD274 Q9NZQ7 1/20 0.62
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
KDM1A O60341 1/20 0.57
HDAC1 Q13547 1/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LTA4H P09960 1/20 0.57
ABL1 P00519 1/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
LYN P07948 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
BCR P11274 1/20 0.56
SRC P12931 1/20 0.56
TUBA1B P68363 1/20 0.56

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
SCHEMBL10132920 0.95 HRH3 (0.62) HPGDCD274NPC1RAB9ASMN1; SMN2
SCHEMBL10132907 0.90 KDM4E (0.60) HPGDCD274NPC1RAB9ASMN1; SMN2
SCHEMBL10132965 0.89 MEN1 (0.58) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10132960 0.86 KDM1A (0.52) NPC1RAB9ASMN1; SMN2KDM4EKDM1A
SCHEMBL23928240 0.85 LTA4H (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10132850 0.81 NPC1 (0.66) NPC1RAB9AKMT2ALTA4HABL1
SCHEMBL11757768 0.80 SMN1; SMN2 (0.62) HPGDCD274SMN1; SMN2ALDH1A1KDM4E
SCHEMBL23291288 0.79 EPHX2 (0.60) SMN1; SMN2ALDH1A1KDM4EHRH3
SCHEMBL10132861 0.79 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL23291269 0.79 KDM4E (0.64) SMN1; SMN2ALDH1A1KDM4ELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-8124605-B2 Compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2012-02-28 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
US-20090149510-A1 Compositions and methods for modulating a kinase cascade OAKTREE FUND ADMINISTRATION, LLC 2009-06-11 US disclosed
WO-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 WO 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-20090149510-A1 Compositions and methods for modulating a kinase cascade MAP3K6, MAP3K4, MAP3K3 HPGD 3936/4885CD274 4344/4885NPC1 3447/4885

“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.