SCHEMBL4716579

SCHEMBL4716579

Cc1cnc2cccc([N+](=O)[O-])c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 4/20 0.54
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NOS1 P29475 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR4 O95977 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
PABPC1 P11940 1/20 0.41
S1PR1 P21453 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7717642 0.81 POLB (0.57) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL3714769 0.81 POLB (0.57) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL5505814 0.81 POLB (0.57) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL1716412 0.81 POLB (0.57) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL1716453 0.80 POLB (0.53) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL23247066 0.77 POLB (0.53) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL13287320 0.77 POLB (0.53) POLBALDH1A1NCOA1NCOA3TDP1
SCHEMBL7715335 0.77 MEN1 (0.54) POLBALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL7795676 0.75 PDE10A (0.60) ALDH1A1TDP1MAPTSMN1; SMN2NOS1
SCHEMBL26199343 0.74 MAPT (0.49) POLBNCOA1NCOA3TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-03-23 US disclosed
EP-3558969-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-10-30 EP disclosed
CN-110214136-A Pyrazole derivatives as MALT1 inhibitor 詹森药业有限公司 2019-09-06 CN disclosed
WO-2018119036-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. (US) 2018-06-28 WO disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-7442701-B2 Amino-heterocycles as VR-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2008-10-28 US disclosed
EP-1562934-B1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME (GB) 2008-03-26 EP disclosed
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain MERCK SHARP & DOHME LTD. (GB) 2006-02-23 US disclosed
EP-1562934-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LTD. (GB) 2005-08-17 EP disclosed
WO-2004046133-A1 AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN MERCK SHARP & DOHME LIMITED (GB) 2004-06-03 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 (5 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-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 POLB 4378/4885ALDH1A1 2543/4885NCOA1 859/4885
US-10954214-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 POLB 4378/4885ALDH1A1 2543/4885NCOA1 859/4885
US-20060040947-A1 Amino-heterocycles as vr-1 antagonists for treating pain OPRL1, CNR1, GPR6 POLB 4371/4885ALDH1A1 2473/4885NCOA1 473/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 POLB 4378/4885ALDH1A1 2543/4885NCOA1 859/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 POLB 4378/4885ALDH1A1 2543/4885NCOA1 859/4885

“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.