SCHEMBL9703411

SCHEMBL9703411

Nc1ccc(Cl)c(Cl)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
TDP1 Q9NUW8 5/20 0.50
ALDH1A1 P00352 8/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR9 Q9NR96 1/20 0.42
CYP3A4 P08684 3/20 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
SCHEMBL8069993 0.85 ALDH1A1 (0.47) TSHRTDP1ALDH1A1HSD17B10MEN1
SCHEMBL10980919 0.82 TSHR (0.62) TSHRTDP1ALDH1A1HSD17B10MAPT
SCHEMBL11047029 0.82 TDP1 (0.53) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL8749133 0.80 ALDH1A1 (0.44) TSHRTDP1ALDH1A1HSD17B10MEN1
SCHEMBL31330060 0.80 ALDH1A1 (0.42) TSHRTDP1ALDH1A1HSD17B10MEN1
SCHEMBL23152122 0.80 ALDH1A1 (0.44) TSHRTDP1ALDH1A1HSD17B10MEN1
SCHEMBL18956810 0.80 MEN1 (0.41) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL240637 0.80 PTGER4 (0.48) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL5704996 0.80 TSHR (0.52) TSHRTDP1ALDH1A1HSD17B10MEN1
SCHEMBL27832802 0.79 MEN1 (0.53) TSHRTDP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 CN claimed
CN-105621587-A Method for degrading chloro-nitroaromatic by using sulfate radicals UNIV ZHEJIANG 2016-06-01 CN claimed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
CN-105621587-B A kind of method using potentiometric titrations degradating chloro nitro-aromatic 浙江大学 2018-01-23 CN disclosed
CN-105621587-A Method for degrading chloro-nitroaromatic by using sulfate radicals UNIV ZHEJIANG 2016-06-01 CN disclosed
CN-102086147-B Preparation method of substituted phenol LIANHE CHEMICAL TECHNOLOGY CO LTD 2014-04-09 CN disclosed
WO-1992011245-A1 2-ACYLAMIDO DERIVATIVES OF 3,4-DIHYDRO-3-OXO-QUINOXALINE HAVING PHARMACEUTICAL ACTIVITY WARNER-LAMBERT COMPANY (US) 1992-07-09 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 (1 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B TSHR 4029/4885TDP1 28/4885ALDH1A1 1451/4885

“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.