SCHEMBL4995199

SCHEMBL4995199

COc1nnc(-c2ccccc2)c2cc(C(=O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 7/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
TP53 P04637 2/20 0.42

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
SCHEMBL4993747 0.85 CA1 (0.50) L3MBTL1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL4995098 0.83 KDM4E (0.48) L3MBTL1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL4993719 0.80 HTT (0.46) L3MBTL1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL4992884 0.80 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL27956430 0.78 ALDH1A1 (0.69) L3MBTL1NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4994369 0.78 CA1 (0.44) L3MBTL1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL4984409 0.78 CA1 (0.44) L3MBTL1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL4993736 0.77 HTT (0.46) L3MBTL1RAB9AALDH1A1CYP1A2CYP2C19
SCHEMBL2462224 0.76 MAPT (0.52) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL4998018 0.75 CA1 (0.44) RAB9AALDH1A1CYP1A2CYP2C19KDM4E

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-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 L3MBTL1 4259/4885NPC1 2569/4885RAB9A 3930/4885

“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.