SCHEMBL6978240

SCHEMBL6978240

OCC(Cc1ccccc1)Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
TRPA1 O75762 1/20 0.36
BMP1 P13497 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
KCNA5 P22460 2/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
IDO1 P14902 3/20 0.32
TDO2 P48775 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17009956 0.84 HDAC3 (0.36) CYP11B1CYP11B2TRPA1BMP1HDAC3
SCHEMBL6976468 0.80 HDAC3 (0.35) CYP11B1CYP11B2BMP1HDAC3HDAC6
SCHEMBL1765841 0.78 CYP11B1 (0.40) CYP11B1CYP11B2BMP1HDAC3HDAC6
SCHEMBL28067941 0.77 CYP11B1 (0.42) CYP11B1CYP11B2HDAC3HDAC6KCNA5
SCHEMBL5643534 0.75 NOS1 (0.47) BMP1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL3149192 0.72 CYP11B1 (0.38) CYP11B1CYP11B2BMP1HDAC3HDAC6
SCHEMBL3516047 0.72 CYP11B1 (0.41) CYP11B1CYP11B2HDAC3HDAC6KDM4E
SCHEMBL8481796 0.72 CYP11B1 (0.40) CYP11B1CYP11B2BMP1HDAC3HDAC6
SCHEMBL6613495 0.72 HDAC3 (0.40) CYP11B1CYP11B2BMP1HDAC3HDAC6
SCHEMBL9239487 0.72 CYP11B1 (0.37) CYP11B1CYP11B2BMP1HDAC3HDAC6

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-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
CN-1445226-A New cornpound derivated from quinazoline, itd preparation method and medicinal composite containig them ADIR (FR) 2003-10-01 CN disclosed
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 CYP11B1 162/4885CYP11B2 128/4885TRPA1 3573/4885

“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.