SCHEMBL24327504

SCHEMBL24327504

COc1cc(N2CCCN(C)CC2)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.56
ALDH1A1 P00352 9/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 1/20 0.44
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 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
SCHEMBL22028444 0.95 SIRT6 (0.61) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL12312120 0.84 SIRT6 (0.64) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL29785327 0.84 SIRT6 (0.52) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL17410940 0.84 SIRT6 (0.52) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL517392 0.83 SIRT6 (0.49) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL23154061 0.83 SIRT6 (0.49) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL30020102 0.82 MAPT (0.69) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL28687694 0.81 ALDH1A1 (0.55) SIRT6ALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL310371 0.81 SMN1; SMN2 (0.45) SIRT6ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL2206009 0.81 TDP1 (0.47) SIRT6ALDH1A1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SIRT6 2696/4885ALDH1A1 3986/4885SMN1; SMN2 4818/4885

“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.