SCHEMBL6307182

SCHEMBL6307182

Nc1c(Cl)cnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR9 Q9NR96 1/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
ALOX15 P16050 1/20 0.36
DHFR P00374 1/20 0.34
CDK2 P24941 1/20 0.34
CLK1 P49759 1/20 0.34

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
SCHEMBL30405501 1.00 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL28207182 0.85 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL19814248 0.83 CDK2 (0.49) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL30769656 0.81 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL2401652 0.81 CA1 (0.38) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL14868671 0.81 HSP90AA1 (0.41) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL2372426 0.81 ALDH1A1 (0.40) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL31539724 0.80 TSHR (0.54) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL31233522 0.78 PIK3CD (0.38) ALDH1A1TSHRLMNAHPGDHTT
SCHEMBL17767940 0.77 GRIN2D (0.41) ALDH1A1TSHRLMNAHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2023-10-26 US disclosed
EP-4186901-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY Cytosinlab Therapeutics Co., Ltd. (CN) 2023-05-31 EP disclosed
US-6960568-B2 Nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-11-01 US disclosed
US-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY (US) 2005-10-27 US disclosed
US-20040116362-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods YALE UNIVERSITY 2004-06-17 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 (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-20050239726-A1 Novel nucleosides and related processes, pharmaceutical compositions and methods ADAR, DCTD, ADA ALDH1A1 1064/4885TSHR 2841/4885LMNA 2605/4885
US-20230339936-A1 COMPOUND HAVING KINASE INHIBITORY ACTIVITY FLT3, ERBB2, ABL1 ALDH1A1 2716/4885TSHR 1066/4885LMNA 3233/4885

“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.