SCHEMBL3783432

SCHEMBL3783432

COC(=O)c1ccc2c3ccccc3n(C3CCC(OC)CC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
KIF11 P52732 1/20 0.46
SCARB1 Q8WTV0 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
PTGER4 P35408 2/20 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
SCHEMBL13011341 1.00 PARP1 (0.46) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL3783431 1.00 PARP1 (0.46) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL13011404 0.89 KDM4E (0.46) PARP1PTGER4ALDH1A1HTR3EHTR3B
SCHEMBL3767133 0.89 SCARB1 (0.45) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL3767138 0.89 SCARB1 (0.45) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL3779471 0.89 SCARB1 (0.45) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL13011346 0.89 KDM4E (0.46) PARP1PTGER4ALDH1A1HTR3EHTR3B
SCHEMBL13011370 0.88 KIF11 (0.43) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL13011410 0.88 KIF11 (0.43) PARP1KIF11SCARB1GABRPGABRD
SCHEMBL13011205 0.88 ALDH1A1 (0.51) PARP1KIF11SCARB1GABRPGABRD

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E PARP1 1520/4885KIF11 3092/4885SCARB1 1612/4885

“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.