SCHEMBL17645554

SCHEMBL17645554

CC(C)(C)N(C(=O)O)c1ccc(I)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
APP P05067 2/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CAPN1 P07384 1/20 0.32
CAPN2 P17655 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSK3B P49841 1/20 0.31
FPR2 P25090 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1530165 0.82 ESR1 (0.39) APPCA1CA2MEN1KMT2A
SCHEMBL7034982 0.81 KMT2A (0.47) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL2472803 0.80 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL1064506 0.80 TDP1 (0.41) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL5480662 0.80 RECQL (0.41) APPMEN1KMT2ASMN1; SMN2HTT
SCHEMBL16594120 0.80 KMT2A (0.42) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL5526810 0.78 MAPT (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16279882 0.78 KMT2A (0.41) MEN1KMT2ASMN1; SMN2HTTL3MBTL1
SCHEMBL1025144 0.78 SCN2A (0.39) APPMEN1KMT2ACYP3A4CYP2C9
SCHEMBL2497436 0.77 EPHX2 (0.44) APPTRPV1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745261-B2 Inhibitors of the MITF molecular pathway THE GENERAL HOSPITAL CORPORATION (US) 2017-08-29 US disclosed
US-9403803-B2 Indole-3-carboxamides as kinase inhibitors ALLERGAN, INC. (US) 2016-08-02 US disclosed
US-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY THE BROAD INSTITUTE, INC. 2016-05-12 US disclosed
US-9321766-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US disclosed
US-20160102077-A1 Indole-3-Carboxamides as Kinase Inhibitors ALLERGAN, INC. 2016-04-14 US disclosed
US-20160096832-A1 KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 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 (3 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-20160130222-A1 INHIBITORS OF THE MITF MOLECULAR PATHWAY MITF, TFEB, TYR TPMT 3749/4885APP 4618/4885CA1 4875/4885
US-20160102077-A1 Indole-3-Carboxamides as Kinase Inhibitors JAK2, REN, IGF1R TPMT 2371/4885APP 4558/4885CA1 4613/4885
US-20160096832-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 TPMT 1219/4885APP 4759/4885CA1 3875/4885

“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.