SCHEMBL2437501

SCHEMBL2437501

NC(c1cccc([N+](=O)[O-])c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 3/20 0.49
ACP3 P15309 1/20 0.48
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.44
GRM8 O00222 4/20 0.44
GRM4 Q14833 4/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
GRM6 O15303 3/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL27382846 0.81 TSHR (0.53) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL28301358 0.81 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL2121190 0.80 TSHR (0.61) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL27850187 0.80 TSHR (0.52) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL27948239 0.80 TSHR (0.52) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL2433538 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL6359586 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL3474257 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL6359584 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT
SCHEMBL3858019 0.77 TSHR (0.57) TSHRLMNAALDH1A1ACP3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-22 US disclosed
EP-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 EP disclosed
WO-2021236885-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 WO disclosed
EP-2552214-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
EP-2415756-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 WO disclosed
WO-2011120026-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (4 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP TSHR 837/4885LMNA 3717/4885ALDH1A1 1013/4885
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 TSHR 1410/4885LMNA 2844/4885ALDH1A1 1337/4885
US-20230192644-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE IKZF2, IKZF1, NUTF2 TSHR 4330/4885LMNA 1156/4885ALDH1A1 1391/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 TSHR 681/4885LMNA 2550/4885ALDH1A1 2301/4885

“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.