SCHEMBL6705331

SCHEMBL6705331

[CH2]NCc1cc(-c2ccccn2)no1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
IGF1R P08069 5/20 0.45
FGFR1 P11362 1/20 0.45
KDR P35968 1/20 0.45
CYP1A2 P05177 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
POLB P06746 1/20 0.44
METAP1 P53582 1/20 0.44
BLM P54132 1/20 0.44
HIF1A Q16665 1/20 0.44
DOHH Q9BU89 1/20 0.44
P4HTM Q9NXG6 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL6705332 0.84 CA12 (0.46) CA12CA9IGF1RFGFR1KDR
SCHEMBL14453819 0.81 CA12 (0.44) CA12CA9IGF1RFGFR1KDR
SCHEMBL31434715 0.79 NOTUM (0.62) CA12CA9CYP1A2KDM4ELMNA
SCHEMBL2120922 0.79 NOTUM (0.62) CA12CA9IGF1RFGFR1KDR
SCHEMBL26527466 0.79 CA12 (0.49) CA12CA9IGF1RFGFR1KDR
SCHEMBL8938531 0.79 CA12 (0.49) CA12CA9CYP1A2KDM4ELMNA
SCHEMBL1314692 0.79 NOTUM (0.62) CA12CA9CYP1A2KDM4ELMNA
SCHEMBL9901587 0.79 CA12 (0.49) CA12CA9IGF1RFGFR1KDR
SCHEMBL28941884 0.78 CA12 (0.46) CA12CA9IGF1RFGFR1KDR
SCHEMBL9902305 0.76 CA12 (0.47) CA12CA9IGF1RFGFR1KDR

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-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 US claimed
US-20040014687-A1 Macrolide antibacterial compounds ABBOTT LABORATORIES 2004-01-22 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-20040014687-A1 Macrolide antibacterial compounds MRPL21, NOP2, PIGS CA12 4061/4885CA9 2546/4885IGF1R 2019/4885

“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.