Sugi Predict

Sugi Predict / Compounds / SCHEMBL16690753

SCHEMBL16690753

SCHEMBL16690753

CN1C[C@@H]([N+](=O)[O-])[C@H](c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.43
▸ SLC6A4 P31645 2/20 0.43
▸ SLC6A3 Q01959 2/20 0.43
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 4/20 0.37
▸ PDE4B Q07343 1/20 0.35
▸ HTR7 P34969 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ CREBBP Q92793 1/20 0.33

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
SCHEMBL21748812 0.80 MEN1 (0.54) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL21748813 0.80 MEN1 (0.54) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL21748809 0.80 MEN1 (0.54) MEN1KMT2AMAPK1ALDH1A1
SCHEMBL1937239 0.78 DPP4 (0.40) SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL2415633 0.78 DPP4 (0.40) SLC6A2SLC6A4SLC6A3MAPK1
SCHEMBL18024239 0.77 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL12498977 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL16649529 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5446034 0.75 MEN1 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5447249 0.75 KMT2A (0.40) MEN1KMT2APDE4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-02-01 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-9763937-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 — — US disclosed
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2017-06-29 — — US disclosed
US-9242996-B2 Aminoheteroaryl benzamides as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
US-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
WO-2015066188-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — WO 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-20150126490-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 SLC6A2 2557/4885SLC6A4 2393/4885SLC6A3 2381/4885
US-20170182038-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 SLC6A2 2557/4885SLC6A4 2393/4885SLC6A3 2381/4885
US-20180028532-A1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS ABL1, MAP3K12, MAP3K2 SLC6A2 2557/4885SLC6A4 2393/4885SLC6A3 2381/4885

“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.