SCHEMBL24328520

SCHEMBL24328520

O=[N+]([O-])c1ccc(Br)c2c1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 5/20 0.38
MEN1 O00255 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
CYP2D6 P10635 1/20 0.37
GPR35 Q9HC97 1/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.35

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
SCHEMBL30773544 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL5820108 0.96 MAPT (0.41) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL30503607 0.83 MAPT (0.47) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL9452622 0.83 MAPT (0.47) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL29375067 0.81 KDM4E (0.41) ALDH1A1CYP3A4MAPTKMT2ASMN1; SMN2
SCHEMBL4846663 0.81 KDM4E (0.41) ALDH1A1CYP3A4MAPTKMT2ASMN1; SMN2
SCHEMBL6610894 0.78 HTR2C (0.48) ALDH1A1CYP3A4MAPTBCHEACHE
SCHEMBL22188690 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL30042255 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4MAPTMEN1GFER
SCHEMBL31731530 0.76 MAPT (0.44) ALDH1A1CYP3A4MAPTMEN1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861110-B Polysubstituted sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-03-01 CN disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
EP-4217348-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BeiGene, Ltd. (KY) 2023-08-02 EP disclosed
CN-116249690-A Indoline compounds and derivatives as EGFR inhibitors 百济神州有限公司 2023-06-09 CN disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed
CN-113861110-A Polysubstituted sulfonamide compound, preparation method and medical application thereof 中国药科大学 2021-12-31 CN 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-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 ALDH1A1 3986/4885CYP3A4 2893/4885MAPT 2274/4885

“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.