SCHEMBL759004

SCHEMBL759004

Cc1nc(NC(=O)C(C)(C)C)ccc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1F P30939 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
ABL1 P00519 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL3923726 0.80 RAB9A (0.56) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL124461 0.80 GRM5 (0.47) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3923609 0.79 L3MBTL1 (0.43) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL11398886 0.78 HPGD (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31623907 0.78 SORT1 (0.48) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3932619 0.78 L3MBTL1 (0.42) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL761088 0.77 ALDH1A1 (0.43) ADORA1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL14667358 0.75 CYP1A2 (0.56) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL921576 0.74 L3MBTL1 (0.54) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9
SCHEMBL3923797 0.74 L3MBTL1 (0.39) L3MBTL1ADORA1CYP1A2CYP3A4CYP2C9

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-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
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 (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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 L3MBTL1 3574/4885ADORA1 1678/4885CYP1A2 15/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 L3MBTL1 3574/4885ADORA1 1678/4885CYP1A2 15/4885

“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.