SCHEMBL744623

SCHEMBL744623

COc1cc(OC)c(C2=CCNCC2)c(O)c1C(=O)/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.50
MAPT P10636 8/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ABCB1 P08183 3/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
CYP19A1 P11511 1/20 0.42
HTR6 P50406 1/20 0.42
MAOB P27338 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 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
SCHEMBL745621 0.88 ABCG2 (0.53) MAPTNPSR1ABCB1MEN1KMT2A
SCHEMBL743365 0.87 TXNRD1 (0.60) MAPTNPSR1ABCB1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL748259 0.87 ABCG2 (0.52) MAPTNPSR1ABCB1MEN1KMT2A
SCHEMBL764043 0.86 MAPT (0.61) MAPTNPSR1ABCB1MEN1KMT2A
SCHEMBL7033020 0.86 MAPT (0.61) MAPTNPSR1ABCB1MEN1KMT2A
SCHEMBL746548 0.84 NPC1 (0.49) MAPTNPSR1ABCB1ALDH1A1LMNA
SCHEMBL745204 0.84 AR (0.49) ARMAPTNPSR1ABCB1ALDH1A1
SCHEMBL744504 0.82 ABCG2 (0.57) MAPTNPSR1ABCB1LMNAKMT2A
SCHEMBL746535 0.82 ABCB1 (0.52) MAPTNPSR1ABCB1
SCHEMBL746171 0.81 ABCB1 (0.54) MAPTNPSR1ABCB1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP claimed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US claimed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP claimed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 WO claimed
EP-2429292-B1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER GEORGIA STATE UNIV RESEARCH FOUNDATION (US) 2019-04-03 EP disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
EP-2429292-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER Georgia State University Research Foundation, Inc. (US) 2012-03-21 EP disclosed
WO-2010129858-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-11-11 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 AR 1702/4885MAPT 3525/4885NPSR1 4569/4885

“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.