SCHEMBL6662261

SCHEMBL6662261

Cc1c(CCCCO)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TBXAS1 P24557 2/20 0.33
LTB4R Q15722 1/20 0.33
JAK2 O60674 1/20 0.32
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
FRK P42685 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3B P49841 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
MAP4K5 Q9Y4K4 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL6667217 0.96 CYP11B1 (0.37) KDM4ECYP11B1CYP11B2CDK1CCNB1
SCHEMBL6743058 0.90 CYP11B1 (0.33) CYP11B1CYP11B2ACSS2
SCHEMBL7310245 0.84 CYP11B1 (0.34) KDM4ECYP11B1CYP11B2HSP90AA1
SCHEMBL28744572 0.83 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL846 0.78 CYP11B1 (0.34) CYP11B1CYP11B2TBXAS1TSHRRAB9A
SCHEMBL9585649 0.78 TAAR1 (0.35) CYP11B1CYP11B2
SCHEMBL4580271 0.77 KDM4E (0.33) KDM4ETBXAS1TSHRRAB9ACNR1
SCHEMBL6660307 0.77 HTR3A (0.32)
SCHEMBL7474608 0.76 CYP1A2 (0.33)
SCHEMBL9379651 0.76 MAOB (0.44) KDM4ENPC1RAB9A

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
EP-1446385-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2004-08-18 EP disclosed
US-20040127718-A1 Substituted imidazoles NOVO NORDISK A/S (DK) 2004-07-01 US disclosed
US-20030181479-A1 Substituted imidazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2003-09-25 US disclosed
WO-2003040106-A1 PREPARATION AND USE OF SUBSTITUTED IMIDAZOLES NOVO NORDISK A/S (DK) 2003-05-15 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 (2 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-20030181479-A1 Substituted imidazoles HRH3, HRH4, HRH2 KDM4E 1571/4885CYP11B1 3165/4885CYP11B2 2444/4885
US-20040127718-A1 Substituted imidazoles HRH3, HRH4, HRH2 KDM4E 1571/4885CYP11B1 3165/4885CYP11B2 2444/4885

“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.