SCHEMBL657693

SCHEMBL657693

COc1cc(OCCO)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 7/20 0.50
ALDH1A1 P00352 8/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 3/20 0.46
SIRT6 Q8N6T7 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1697621 0.87 MAPT (0.67) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL6377931 0.87 KMT2A (0.57) CHEK1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL17197367 0.85 SMN1; SMN2 (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL22955262 0.85 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2964413 0.85 KMT2A (0.52) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8789817 0.84 SMN1; SMN2 (0.51) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL661607 0.83 KMT2A (0.51) CHEK1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL224201 0.83 KMT2A (0.50) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1961769 0.83 CHRNB2 (0.57) KMT2ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5012954 0.83 MAPT (0.45) CHEK1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Université Côte d’Azur (FR) 2025-01-23 US disclosed
EP-4399202-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2024-07-17 EP disclosed
WO-2023072962-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-05-04 WO disclosed
EP-4169904-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS Yukin Therapeutics (FR) 2023-04-26 EP disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
WO-2012022707-A1 SUBSTITUTED HETEROARYL SPIROPYRROLIDINE MDM2 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-23 WO disclosed
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists BARTKOVITZ DAVID JOSEPH (US) 2012-02-23 US disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 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 (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-20250026722-A1 SUBSTITUTED QUINOLINES AS IMPROVED NF-KB-INDUCING KINASE (NIK) INHIBITORS NFKBIA, IKBKG, IKBKB CHEK1 438/4885KMT2A 1689/4885SMN1; SMN2 3741/4885
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 CHEK1 2126/4885KMT2A 2423/4885SMN1; SMN2 3961/4885
US-20120046306-A1 Substituted Heteroaryl Spiropyrrolidine MDM2 Antagonists MDM2, TP53, RB1 CHEK1 86/4885KMT2A 1667/4885SMN1; SMN2 3551/4885

“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.