SCHEMBL3410172

SCHEMBL3410172

O=C(O)N1CCCC(c2ccc(-n3cc4c(CO)cc(F)cc4n3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 10/20 0.38
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6518971 0.84 BCL9 (0.36) PROKR1ALDH1A1LMNATDP1RAB9A
SCHEMBL3435942 0.83 ALDH1A1 (0.35) PROKR1ALDH1A1LMNATDP1RAB9A
SCHEMBL6519249 0.73 PDE4B (0.42) ALDH1A1LMNAMAPT
SCHEMBL4099888 0.72 RAB9A (0.57) PROKR1ALDH1A1LMNARAB9AGAA
SCHEMBL187297 0.70 ALDH1A1 (0.49) PROKR1ALDH1A1LMNARAB9AMAPT
SCHEMBL6521846 0.69 NOTUM (0.46) ALDH1A1MAPT
SCHEMBL16322554 0.67 PARP1 (0.69)
SCHEMBL3660445 0.67 PARP1 (0.69)
SCHEMBL2937126 0.66 RAB9A (0.67) PROKR1ALDH1A1RAB9AGAAMAPT
SCHEMBL2937123 0.66 RAB9A (0.67) PROKR1ALDH1A1RAB9AGAAMAPT

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-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 US disclosed
EP-2265611-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-12-29 EP disclosed
WO-2009112832-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-09-17 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 PROKR1 3574/4885ALDH1A1 305/4885LMNA 504/4885

“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.