SCHEMBL6488660

SCHEMBL6488660

COc1ccc(-c2cc3cccnc3n2C)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.46
ATP1B1 P05026 1/20 0.46
ATP1A3 P13637 1/20 0.46
ATP1B2 P14415 1/20 0.46
ATP1A2 P50993 1/20 0.46
ATP1B3 P54709 1/20 0.46
FXYD2 P54710 1/20 0.46
ATP1A4 Q13733 1/20 0.46
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
MAPT P10636 2/20 0.44
GAK O14976 1/20 0.43
FYN P06241 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RIPK1 Q13546 1/20 0.42
NPY5R Q15761 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
SCHEMBL4781475 0.83 NPC1 (0.49) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL30475510 0.78 CYP11B2 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL26122323 0.78 CYP11B2 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL3230114 0.77 CCNB2 (0.63) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL6479634 0.77 AHR (0.50) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10366831 0.77 CCNB2 (0.46) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL6478532 0.76 CCNB2 (0.49) PDGFRBPDGFRANPC1RAB9AKDM4E
SCHEMBL5314321 0.76 SLC22A12 (0.47) PDGFRBPDGFRAMAPTRAB9ASLC22A12
SCHEMBL18741104 0.75 MAPT (0.49) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6491682 0.75 ALOX15 (0.52) MAPTNPC1SMN1; SMN2KDM4EALDH1A1

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 ATP1A1 1570/4885ATP1B1 1236/4885ATP1A3 2374/4885

“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.