SCHEMBL5009546

SCHEMBL5009546

CCOc1cnc2ncccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
CYP19A1 P11511 1/20 0.48
SLC40A1 Q9NP59 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ACP1 P24666 1/20 0.39
NQO1 P15559 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
PDE5A O76074 1/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
S1PR1 P21453 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL13898402 0.83 CCR1 (0.58) CYP11B1CYP11B2CYP19A1SLC40A1LMNA
SCHEMBL5012780 0.82 CYP1A2 (0.47) CYP11B1CYP11B2CYP19A1SLC40A1KDM4E
SCHEMBL38652754 0.82 ACP1 (0.39) LMNAKDM4EMAPTACP1POLB
SCHEMBL18796126 0.76 RIPK1 (0.47) CYP11B1CYP11B2LMNAMAPTPOLB
SCHEMBL13302131 0.75 RAB9A (0.55) CYP11B1CYP11B2CYP19A1LMNAKDM4E
SCHEMBL10077023 0.75 PARP1 (0.49) LMNAACP1ALDH1A1CCR1CCR5
SCHEMBL169529 0.74 MAPT (0.47) CYP11B1CYP11B2CYP19A1LMNAKDM4E
SCHEMBL826938 0.74 ALDH1A1 (0.55) CYP11B1CYP11B2CYP19A1LMNAKDM4E
Ether SCHEMBL16334360 0.74 ALDH1A1 (0.41) SLC40A1LMNAKDM4EMAPTPDE5A
SCHEMBL14686182 0.73 ACP1 (0.43) LMNAKDM4EMAPTACP1PDE5A

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-7462600-B2 Macrolides PFIZER INC (US) 2008-12-09 US disclosed
US-20060135447-A1 Macrolides CHUPAK LOUIS S 2006-06-22 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-20060135447-A1 Macrolides LCAT, NOP2, HDAC6 CYP11B1 608/4885CYP11B2 375/4885CYP19A1 2230/4885

“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.