Sugi Predict

Sugi Predict / Compounds / SCHEMBL12785877

SCHEMBL12785877

SCHEMBL12785877

c1ccc2c(CC3CCNCC3)nncc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.46
▸ SLC6A4 P31645 3/20 0.46
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HTR4 Q13639 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ MPO P05164 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ GOT1 P17174 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL12785892 0.76 CARM1 (0.53) SLC6A4LMNAKMT2AHRH3SLC6A2
SCHEMBL12785889 0.76 CCR3 (0.57) HRH3KDM4EALDH1A1MAPT
SCHEMBL12785888 0.75 LMNA (0.40) SLC6A4LMNAKMT2ASLC6A2ALDH1A1
Azetidine SCHEMBL28099548 0.72 CYP19A1 (0.53) LMNAKMT2AHTR3ACYP19A1MPO
SCHEMBL12785891 0.72 L3MBTL1 (0.46) LMNAKMT2AKDM4EALDH1A1CYP1A2
SCHEMBL11354054 0.71 CYP2D6 (0.62) GBA1SLC6A4KMT2AALDH1A1CYP2D6
SCHEMBL4582703 0.71 CYP1A2 (0.51) LMNAMPOKDM4ETP53CYP3A4
Hydrochloric Acid SCHEMBL16113966 0.70 CYP2D6 (0.60) GBA1SLC6A4KMT2AALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL28022114 0.70 GBA1 (0.45) GBA1SLC6A4KMT2ASLC6A2HTR3A
SCHEMBL8442754 0.69 SLC6A4 (0.50) GBA1SLC6A4LMNACYP3A4SMN1; SMN2

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
US-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-03-12 — — US disclosed
US-8946221-B2 Phthalazine derivatives as PARP inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2015-02-03 — — US disclosed
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS MEVELLEC LAURENCE ANNE 2011-03-17 — — US disclosed
US-7803795-B2 Phthalazine derivatives as parp inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-28 — — US disclosed
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 — — US 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 (3 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-20150072972-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 GBA1 3225/4885SLC6A4 4641/4885LMNA 274/4885
US-20080139568-A1 Phthalazine Derivatives as Parp Inhibitors PARP1, PARP2, PARP11 GBA1 3242/4885SLC6A4 4684/4885LMNA 266/4885
US-20110065684-A1 PHTHALAZINE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP11 GBA1 3225/4885SLC6A4 4641/4885LMNA 274/4885

“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.