SCHEMBL4619237

SCHEMBL4619237

COc1c(I)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR35 Q9HC97 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.42
HSPB1 P04792 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
S100A4 P26447 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL30493209 1.00 TDP1 (0.52) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL30493185 0.88 TDP1 (0.44) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL358770 0.86 TDP1 (0.61) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL25161887 0.81 TDP1 (0.55) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL2088309 0.81 TDP1 (0.71) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31119224 0.81 TDP1 (0.71) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL31119225 0.81 TDP1 (0.71) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL1755968 0.79 TDP1 (0.53) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL4564308 0.79 TSHR (0.60) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2
SCHEMBL3721283 0.78 MAPT (0.57) TDP1ALDH1A1L3MBTL1TSHRSMN1; SMN2

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
CN-103649263-B Direct trifluoromethylation using trifluoromethane 南加州大学 2016-06-29 CN claimed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 US claimed
CN-103649263-A Direct trifluoromethylation using trifluoromethane UNIV SOUTHERN CALIFORNIA 2014-03-19 CN claimed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US claimed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 WO claimed
CN-116284040-B Nitrogen-containing heterocyclic compound and medical application thereof 华润医药研究院(深圳)有限公司 2024-05-28 CN disclosed
CN-116284040-A Nitrogen-containing heterocyclic compound and medical application thereof 华润医药研究院(深圳)有限公司 2023-06-23 CN disclosed
CN-103649263-B Direct trifluoromethylation using trifluoromethane 南加州大学 2016-06-29 CN disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 US disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 US disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 US disclosed
CN-103649263-A Direct trifluoromethylation using trifluoromethane UNIV SOUTHERN CALIFORNIA 2014-03-19 CN disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 US disclosed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 WO disclosed
US-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity ASTRAZENECA AB (SE) 2008-08-14 US disclosed
EP-1893605-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006103449-A2 SAMINOPYRIMIDINE DERIVATES WITH TIE2 INHIBITING ACTIVITY ASTRAZENECA AB (SE) 2006-10-05 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 (2 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-20080194552-A1 Aminopyrimidine Derivatives With Tie2 Inhibiting Activity TIE1, TEK, FLT1 TDP1 2219/4885ALDH1A1 1756/4885L3MBTL1 3548/4885
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 TDP1 3590/4885ALDH1A1 1358/4885L3MBTL1 1917/4885

“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.