SCHEMBL29646647

SCHEMBL29646647

O=[N+]([O-])c1cc(-c2ccc(F)cc2F)cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSPB1 P04792 5/20 0.47
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 2/20 0.42
TTR P02766 2/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL21819356 1.00 CYP19A1 (0.52) CYP19A1ATMTDP1HSPB1AKR1C3
SCHEMBL16396314 0.89 TDP1 (0.45) CYP19A1ATMTDP1HSPB1AKR1C3
SCHEMBL16342390 0.89 TSHR (0.50) CYP19A1ATMTDP1HSPB1AKR1C3
SCHEMBL19433252 0.89 TDP1 (0.45) CYP19A1ATMTDP1HSPB1AKR1C3
SCHEMBL16402212 0.85 HSPB1 (0.46) ATMTDP1HSPB1AKR1C3AKR1C2
SCHEMBL16396032 0.85 VCAM1 (0.54) CYP19A1ATMTDP1HSPB1AKR1C3
SCHEMBL30469290 0.85 AKR1C3 (0.60) ATMTDP1HSPB1AKR1C3AKR1C2
SCHEMBL20557366 0.85 AKR1C3 (0.60) ATMTDP1HSPB1AKR1C3AKR1C2
Fluoride SCHEMBL27401563 0.84 CYP19A1 (0.50) CYP19A1ATMTDP1HSPB1ALDH1A1
SCHEMBL16396168 0.82 MAPT (0.49) ATMTDP1ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124470-B Method for preparing sulfonamide structured kinase inhibitors 奥瑞基尼肿瘤有限公司 2024-08-27 CN disclosed
EP-4137487-A1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE STRUCTURED KINASE INHIBITOR Aurigene Discovery Technologies Limited (IN) 2023-02-22 EP disclosed
EP-3601262-B1 PROCESS FOR THE PREPARATION OF A SULFONAMIDE STRUCTURED KINASE INHIBITOR AURIGENE DISCOVERY TECH LTD (IN) 2022-11-09 EP disclosed
US-11332460-B2 Process for the preparation of a sulfonamide structured kinase inhibitor ORION CORPORATION (FI) 2022-05-17 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 (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-11332460-B2 Process for the preparation of a sulfonamide structured kinase inhibitor FGFR1, FGFR2, FGFR4 CYP19A1 606/4885ATM 631/4885TDP1 1212/4885

“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.