SCHEMBL10132960

SCHEMBL10132960

O=C(NCCc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cc1)c1cccc(N2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ KDR P35968 3/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ HRH3 Q9Y5N1 8/20 0.50
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SRC P12931 1/20 0.46

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
SCHEMBL10132780 0.86 HPGD (0.62) KDM1AHDAC1KDRROCK2ROCK1
SCHEMBL10132946 0.82 NPC1 (0.49) ROCK2ROCK1HRH3NPC1RAB9A
SCHEMBL10132920 0.81 HRH3 (0.62) HRH3SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL10132962 0.80 SRC (0.62) KDM1AHDAC1KDRROCK2ROCK1
SCHEMBL10132952 0.79 SRC (0.55) KDM1AHDAC1KDRROCK2ROCK1
SCHEMBL10132942 0.79 NPC1 (0.47) ROCK2ROCK1HRH3KDM4ENPC1
SCHEMBL10132958 0.78 KDR (0.54) KDRROCK2ROCK1HRH3SRC
SCHEMBL10132944 0.77 NPC1 (0.47) ROCK2ROCK1HRH3KDM4ENPC1
SCHEMBL10132954 0.77 NPC1 (0.48) ROCK2ROCK1HRH3NPC1RAB9A
SCHEMBL10132907 0.76 KDM4E (0.60) SMN1; SMN2KDM4ENPC1RAB9A

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 KDM1A 3394/4885HDAC1 2264/4885KDR 685/4885

“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.

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