SCHEMBL7091792

SCHEMBL7091792

Nc1c(Nc2cccc(F)c2)c(=O)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.51
IDO1 P14902 2/20 0.45
TDO2 P48775 1/20 0.45
P2RY4 P51582 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
TAAR1 Q96RJ0 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BUB1 O43683 1/20 0.40
STK10 O94804 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
SCHEMBL17664060 0.79 MAPT (0.45) IDO1TDO2P2RY4MEN1KMT2A
SCHEMBL8230052 0.79 ADORA2A (0.53) RAPGEF4IDO1P2RY4MEN1KMT2A
SCHEMBL18028562 0.78 IDO1 (0.44) IDO1TDO2P2RY4MEN1KMT2A
SCHEMBL7905830 0.78 SIRT2 (0.48) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL17427536 0.77 CXCR2 (0.52) IDO1MEN1KMT2AKDM4ELMNA
SCHEMBL13157110 0.77 HTR6 (0.44) RAPGEF4MEN1KMT2APOLB
SCHEMBL20057651 0.76 KMT2A (0.79) RAPGEF4IDO1P2RY4MEN1KMT2A
SCHEMBL8185369 0.76 MEN1 (0.41) RAPGEF4IDO1P2RY4MEN1KMT2A
SCHEMBL10208122 0.76 RAPGEF4 (0.56) RAPGEF4IDO1P2RY4MEN1KMT2A
SCHEMBL392473 0.74 RAPGEF4 (0.61) RAPGEF4IDO1MEN1KMT2ATAAR1

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
EP-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 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 (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-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 RAPGEF4 1530/4885IDO1 577/4885TDO2 1959/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 RAPGEF4 1530/4885IDO1 577/4885TDO2 1959/4885

“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.