SCHEMBL12458074

SCHEMBL12458074

N=Cc1cc(-c2cccnc2)ccc1NI

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.48
CYP2A6 P11509 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP11B1 P15538 5/20 0.44
CYP11B2 P19099 5/20 0.44
CYP19A1 P11511 2/20 0.44
CYP17A1 P05093 1/20 0.44
MKNK1 Q9BUB5 3/20 0.41
MKNK2 Q9HBH9 3/20 0.41
MEN1 O00255 1/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
QPCT Q16769 1/20 0.41
QPCTL Q9NXS2 1/20 0.41
ABCB1 P08183 2/20 0.41
FGFR1 P11362 2/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 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
SCHEMBL14404118 0.77 MKNK1 (0.53) ERN1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL19204156 0.72 CYP1A2 (0.59) ALDH1A1CYP1A2CYP3A4CLK4
SCHEMBL24385121 0.71 HTR6 (0.49) ERN1CYP2A6ALDH1A1CYP1A2CYP3A4
SCHEMBL15800497 0.69 CYP2A6 (0.60) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL30620885 0.67 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL17951830 0.67 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL12103445 0.67 CYP2A6 (0.79) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL29360677 0.67 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL13907273 0.67 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1
SCHEMBL24534338 0.67 CYP2A6 (0.88) CYP2A6ALDH1A1CYP1A2CYP3A4CYP11B1

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-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 ERN1 2082/4885CYP2A6 75/4885ALDH1A1 89/4885

“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.