SCHEMBL4842336

SCHEMBL4842336

COc1ccc(-c2cccnc2)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CYP11B2 P19099 10/20 0.56
CYP11B1 P15538 9/20 0.56
CYP17A1 P05093 4/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
CYP19A1 P11511 2/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
CYP2C9 P11712 1/20 0.50
GABRA1 P14867 1/20 0.49
GABRG2 P18507 1/20 0.49

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
SCHEMBL5342329 0.85 SMN1; SMN2 (0.84) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL16277788 0.81 LMNA (0.56) SMN1; SMN2NPC1RAB9ACYP17A1CYP3A4
SCHEMBL26768653 0.80 SMN1; SMN2 (1.00) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL3737508 0.80 CYP11B2 (0.55) NPC1RAB9ACYP11B2CYP11B1CYP17A1
SCHEMBL31055739 0.79 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL29853676 0.79 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL7267474 0.79 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9ACYP1A2KDM4E
SCHEMBL16446303 0.79 CYP11B2 (0.74) SMN1; SMN2NPC1RAB9ACYP11B2CYP11B1
SCHEMBL28439295 0.79 KMO (0.64) NPC1RAB9ACYP19A1KDM4EALDH1A1
SCHEMBL20118972 0.78 KDM4E (0.53) SMN1; SMN2NPC1RAB9ACYP11B2CYP11B1

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-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

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 SMN1; SMN2 1239/4885NPC1 204/4885RAB9A 3275/4885

“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.