SCHEMBL3300873

SCHEMBL3300873

CC(=O)Nc1nc(OCc2ccccc2)c2[nH]c(=O)[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.45
ACHE P22303 2/20 0.43
APP P05067 1/20 0.43
MPO P05164 1/20 0.41
ADORA3 P0DMS8 3/20 0.40
ADORA1 P30542 2/20 0.40
ALDH1A1 P00352 2/20 0.40
XDH P47989 2/20 0.39
PPIA P62937 1/20 0.39
BRAF P15056 1/20 0.39
PPARG P37231 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL3303363 0.79 PIN1 (0.59) BRD4MPO
SCHEMBL3300630 0.78 MGMT (0.56) MPOXDH
SCHEMBL5197013 0.78 BRD4 (0.46) BRD4ACHEAPPMPOADORA3
SCHEMBL4102997 0.71 ACHE (0.45) BRD4ACHEAPPMPOADORA3
SCHEMBL11463436 0.69 ADORA3 (0.60) BRD4ADORA3ADORA1ALDH1A1MEN1
SCHEMBL3340079 0.69 JAK2 (0.47) ACHEAPPADORA3ALDH1A1PPIA
SCHEMBL3334534 0.68 DHODH (0.48) BRD4ACHEAPPADORA3ADORA1
SCHEMBL21591842 0.68 MPO (0.43) BRD4MPOADORA3ADORA1PPARG
SCHEMBL3338586 0.67 ACHE (0.54) ACHEAPPADORA3ALDH1A1MEN1
SCHEMBL21769255 0.67 BRD4 (0.57) BRD4ADORA3ADORA1PPIAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY 2014-10-02 US disclosed
US-8791081-B2 MGMT inhibitor combination for the treatment of neoplastic disorders CASE WESTERN RESERVE UNIVERSITY (US) 2014-07-29 US disclosed
US-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS LIU LILI 2010-04-15 US disclosed
WO-2008109417-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS CASE WESTERN RESERVE UNIVERSITY (US) 2008-09-12 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 (2 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-20100093647-A1 MGMT INHIBITOR COMBINATION FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG BRD4 558/4885ACHE 4103/4885APP 4480/4885
US-20140296264-A1 MGMT INHIBITOR COMBINATIONS FOR THE TREATMENT OF NEOPLASTIC DISORDERS MGMT, MSH2, UNG BRD4 577/4885ACHE 4128/4885APP 4502/4885

“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.