SCHEMBL5042301

SCHEMBL5042301

O=C(O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
AKR1B1 P15121 1/20 0.52
FBP1 P09467 1/20 0.46
CYP1A2 P05177 1/20 0.45
VCAM1 P19320 2/20 0.45
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRM4 Q14833 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
CYP3A4 P08684 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
SCHEMBL31514206 1.00 TDP1 (0.56) TDP1AKR1B1FBP1CYP1A2VCAM1
SCHEMBL6179100 0.83 TDP1 (0.44) TDP1AKR1B1FBP1CYP1A2MAPT
SCHEMBL31514205 0.83 TDP1 (0.49) TDP1CYP1A2VCAM1MAPTMAPK1
SCHEMBL11164262 0.83 TDP1 (0.49) TDP1CYP1A2VCAM1MAPTMAPK1
SCHEMBL6646572 0.82 TDP1 (0.60) TDP1FBP1VCAM1TSHRMAPK1
SCHEMBL10920471 0.81 ADRA2A (0.57) TDP1FBP1VCAM1MAPTTSHR
SCHEMBL6640405 0.80 TDP1 (0.62) TDP1FBP1VCAM1TSHRMAPK1
SCHEMBL9033491 0.79 AKR1B1 (0.67) TDP1AKR1B1CYP1A2VCAM1MAPT
SCHEMBL55504 0.79 AKR1B1 (0.65) AKR1B1TSHRMAPK1MEN1LMNA
SCHEMBL29397431 0.79 AKR1B1 (0.65) AKR1B1TSHRMAPK1MEN1LMNA

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
WO-2025068452-A1 GUANFACINE DERIVATIVES AND THEIR USE IN TREATING CANCER NEGIO THERAPEUTICS (BE) 2025-04-03 WO disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
US-7449582-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2008-11-11 US disclosed
EP-1673343-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-09-10 EP disclosed
EP-1673343-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-06-28 EP disclosed
US-20050187230-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2005-08-25 US disclosed
WO-2005034869-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-04-21 WO disclosed
EP-0160962-B1 IODOPROPARGYL ESTERS OF SUBSTITUTED PHENYLACETIC ACIDS, THEIR PREPARATION AND USE AS BIOCIDES THE DOW CHEMICAL COMPANY (US) 1989-09-13 EP disclosed
US-4639541-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-01-27 US disclosed
EP-0160962-A2 Iodopropargyl esters of substituted phenylacetic acids, their preparation and use as biocides THE DOW CHEMICAL COMPANY (US) 1985-11-13 EP disclosed
US-4239901-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1980-12-16 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 (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-20050187230-A1 Compounds and compositions as protein kinase inhibitors FYN, LCK, SRC TDP1 1219/4885AKR1B1 4210/4885FBP1 1797/4885

“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.