SCHEMBL29965703

SCHEMBL29965703

CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CRHBP P24387 3/20 0.53
CRHR2 Q13324 3/20 0.53
ATM Q13315 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TLR9 Q9NR96 1/20 0.53
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
RAB9A P51151 1/20 0.43
TNNC1 P63316 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
SCHEMBL29900630 0.88 ALOX5 (0.49) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL28932929 0.88 ALOX5 (0.49) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL504005 0.84 L3MBTL1 (0.55) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL29837160 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CRHBPCRHR2ATM
SCHEMBL14428283 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CRHBPCRHR2ATM
SCHEMBL6916032 0.82 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CRHBPCRHR2ATM
SCHEMBL13148766 0.82 TDP1 (0.49) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL13148723 0.82 TDP1 (0.49) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL13148775 0.82 TDP1 (0.49) ALDH1A1SMN1; SMN2ATMMEN1KMT2A
SCHEMBL380709 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CRHBPCRHR2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4477271-B1 N-(PHENYL)-5-(HETEROARYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2026-05-13 EP disclosed
EP-4477271-A2 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF Korea Research Institute of Chemical Technology (KR) 2024-12-18 EP disclosed
EP-3749648-B1 N-(PHENYL)-5-(PHENYL)-1H-PYRAZOL-3-AMINE DERIVATIVES AS TNIK INHIBITORS FOR USE IN THE TREATMENT OF CANCER KOREA RES INST CHEMICAL TECH (KR) 2024-10-30 EP disclosed
US-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2023-09-26 US disclosed
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2023-02-09 US disclosed
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2022-11-01 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 (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-11767297-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885SMN1; SMN2 3402/4885CRHBP 4071/4885
US-11485711-B2 Compounds for inhibiting TNIK and medical uses thereof TNNI3K, TNK1, TNIK ALDH1A1 4519/4885SMN1; SMN2 3402/4885CRHBP 4071/4885
US-20230039679-A1 COMPOUNDS FOR INHIBITING TNIK AND MEDICAL USES THEREOF TNNI3K, TNK1, TNIK ALDH1A1 4519/4885SMN1; SMN2 3402/4885CRHBP 4071/4885

“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.