SCHEMBL4841835

SCHEMBL4841835

COc1ccc(C(=O)c2ccc3c(c2)OCO3)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.56
RAB9A P51151 7/20 0.55
NPC1 O15118 6/20 0.55
CTNNB1 P35222 1/20 0.54
WNT3A P56704 1/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LTC4S Q16873 1/20 0.50
EDNRB P24530 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL5823399 0.85 CTNNB1 (0.57) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL8301109 0.84 RAB9A (0.61) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL7384377 0.84 MAPT (0.62) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL4823544 0.82 RAB9A (0.68) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL13548377 0.82 SRD5A2 (0.71) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL7532873 0.81 SRD5A2 (0.69) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL4124832 0.80 NPC1 (0.68) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL4823371 0.79 CTNNB1 (0.78) SRD5A2RAB9ANPC1CTNNB1WNT3A
SCHEMBL8292612 0.79 RAB9A (0.53) RAB9ANPC1CTNNB1WNT3AMAPT
SCHEMBL4821161 0.78 CTNNB1 (0.61) SRD5A2RAB9ANPC1CTNNB1WNT3A

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 3 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
US-20070099895-A1 1-AMINO-PHTHALAZINE DERIVATIVES, THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-05-03 US disclosed
CN-1953972-A 1-amino-phthalazine derivatives, their preparation and their therapeutic use SANOFI AVENTIS (FR) 2007-04-25 CN 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 SRD5A2 1217/4885RAB9A 3275/4885NPC1 204/4885

“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.