SCHEMBL4840113

SCHEMBL4840113

COc1cc(OC)c2c(Cc3ccccc3)nnc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
SHMT2 P34897 1/20 0.42
KDR P35968 6/20 0.40
LTA4H P09960 1/20 0.40
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
FLT1 P17948 1/20 0.39
LTB4R Q15722 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
USP2 O75604 1/20 0.38
BRD4 O60885 2/20 0.38

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
SCHEMBL4133994 0.81 DPP4 (0.41) ALDH1A1LMNAMAPTPDE2APDE10A
SCHEMBL4838839 0.80 ALDH1A1 (0.54) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL4841758 0.75 PARP1 (0.56) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL580401 0.72 KDR (0.63) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL6586299 0.72 PDE4A (0.48) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL4843440 0.71 PDE4A (0.47) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL4838432 0.70 ABCB1 (0.41) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL25215784 0.70 ALDH1A1 (0.50) ALDH1A1LTA4HPDE4BPDE4DBRD4
SCHEMBL4841956 0.69 PDE4A (0.46) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL18029929 0.69 LTA4H (0.57) ALDH1A1LTA4H

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-7423030-B2 1-amino-phthalazine derivatives, the preparation and the therapeutic use thereof SANOFI-AVENTIS (FR) 2008-09-09 US disclosed
EP-1737840-B1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2007-09-12 EP disclosed
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
EP-1737840-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-01-03 EP disclosed
WO-2005103033-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2005-11-03 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-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, GOT2 ALDH1A1 86/4885LMNA 2581/4885MAPT 459/4885

“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.