SCHEMBL24327320

SCHEMBL24327320

CN(C)C1CCN(c2ccc([N+](=O)[O-])c3c2OCO3)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAPT P10636 8/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 1/20 0.39
TXNRD1 Q16881 1/20 0.39
TXNRD3 Q86VQ6 1/20 0.39
TXNRD2 Q9NNW7 1/20 0.39
CTPS1 P17812 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.37
AR P10275 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 3/20 0.37
USP2 O75604 1/20 0.37
TNNI3 P19429 1/20 0.37

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
SCHEMBL29661420 1.00 CTSB (0.40) CTSBNOS3NOS1NOS2MAPT
SCHEMBL29661331 0.93 CTSB (0.40) CTSBNOS3NOS1NOS2MAPT
SCHEMBL26655509 0.93 CTSB (0.40) CTSBNOS3NOS1NOS2MAPT
SCHEMBL26630925 0.80 MAPT (0.52) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL26655456 0.80 CTSB (0.40) CTSBNOS3NOS1NOS2MAPT
SCHEMBL26655421 0.78 ALDH1A1 (0.37) CTSBNOS3NOS1NOS2MAPT
SCHEMBL29661403 0.78 PDCD1 (0.37) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL24327378 0.78 PDCD1 (0.37) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL24327382 0.76 ALDH1A1 (0.42) CTSBNOS3NOS1NOS2MAPT
SCHEMBL28799318 0.76 KMT2A (0.56) CTSBMAPTALDH1A1KMT2AMEN1

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
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
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 CTSB 2520/4885NOS3 3270/4885NOS1 2959/4885

“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.