SCHEMBL2465245

SCHEMBL2465245

COc1cccc(N(C(=O)c2ccc3c(NCc4ccccc4)nnc(Cl)c3c2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
PDE5A O76074 4/20 0.43
VNN1 O95497 2/20 0.43
MAPK1 P28482 3/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
EGFR P00533 1/20 0.40

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
SCHEMBL2456526 0.82 NPC1 (0.52) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL2460273 0.78 NPC1 (0.52) ALDH1A1MEN1KMT2ATP53HTT
SCHEMBL4990576 0.77 CSNK2A1 (0.54) ALDH1A1MEN1KMT2ATP53HPGD
SCHEMBL25858757 0.75 APP (0.57) ALDH1A1MEN1KMT2ATP53HTT
Aniline SCHEMBL2489874 0.75 NPC1 (0.47) ALDH1A1MEN1KMT2ATP53HTT
Benzamide SCHEMBL2489873 0.74 NPC1 (0.49) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL4986819 0.73 CSNK2A1 (0.51) ALDH1A1MEN1KMT2ATP53HPGD
SCHEMBL2459765 0.72 PPARG (0.49) ALDH1A1MEN1KMT2ATP53HPGD
SCHEMBL2112170 0.71 HSD17B2 (0.64) ALDH1A1MEN1KMT2ATP53HPGD
SCHEMBL2113120 0.71 HSD17B2 (0.56) ALDH1A1MEN1KMT2AHPGDMAPK1

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-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 US disclosed
US-20110237571-A1 PHTHALAZINE DERIVATIVES ARALDI GIAN-LUCA 2011-09-29 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-20110237571-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 ALDH1A1 3613/4885MEN1 2282/4885KMT2A 502/4885

“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.