SCHEMBL192328

SCHEMBL192328

Cc1c(Cl)c([N+](=O)[O-])cc[n+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.38
TSHR P16473 6/20 0.37
CYP3A4 P08684 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPK1 P28482 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL29440728 0.81 TDP1 (0.52) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL539611 0.81 TDP1 (0.52) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL7015500 0.81 TDP1 (0.48) TDP1L3MBTL1HTR2AHTR2CHTR2B
SCHEMBL27875406 0.78 CYP1A2 (0.42) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL27331521 0.78 TDP1 (0.48) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL31329852 0.78 CYP1A2 (0.42) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL9455835 0.78 MAPT (0.41) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL8781407 0.76 TSHR (0.41) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL10668912 0.75 ALDH1A1 (0.41) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL712542 0.75 MAPT (0.39) TDP1SMN1; SMN2KDM4EMAPTL3MBTL1

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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
CN-102333781-B Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO CO LTD 2014-06-11 CN disclosed
US-8445504-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-09 US disclosed
US-8236813-B2 Tricyclic pyrazolopyrimidine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-08-07 US disclosed
EP-2402349-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-04 EP disclosed
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-24 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-20120202833-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 TDP1 690/4885SMN1; SMN2 4213/4885KDM4E 3698/4885
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 TDP1 3016/4885SMN1; SMN2 760/4885KDM4E 4567/4885
US-20110071170-A1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES HSP90AB1, HSP90B1, HSP90AA1 TDP1 690/4885SMN1; SMN2 4213/4885KDM4E 3698/4885

“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.