SCHEMBL23627261

SCHEMBL23627261

C=CCOC(=O)c1cn(CCCCCO)nn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLS O94925 8/20 0.39
GBA1 P04062 2/20 0.38
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.36
MAPK1 P28482 1/20 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
SCHEMBL26374615 1.00 ALDH1A1 (0.39) ALDH1A1LMNAGLSGBA1CYP3A4
SCHEMBL23627235 0.99 ALDH1A1 (0.40) ALDH1A1LMNAGLSGBA1CYP3A4
SCHEMBL26374542 0.95 ALDH1A1 (0.40) ALDH1A1LMNAGLSCYP3A4MAPT
SCHEMBL9325575 0.89 ALDH1A1 (0.42) ALDH1A1LMNAGLSCYP3A4HPGD
SCHEMBL26381267 0.87 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2GLA
SCHEMBL23627266 0.86 ALDH1A1 (0.39) ALDH1A1LMNAGLSCYP3A4HPGD
SCHEMBL26381323 0.84 ALDH1A1 (0.43) ALDH1A1LMNAGLSGBA1HPGD
SCHEMBL26374612 0.83 ALDH1A1 (0.37) ALDH1A1LMNAGLSCYP3A4HPGD
SCHEMBL26374595 0.83 ALDH1A1 (0.37) ALDH1A1LMNAGLSCYP3A4HPGD
SCHEMBL26374578 0.81 ALDH1A1 (0.37) ALDH1A1LMNAGLSCYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
US-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2023-10-05 US disclosed
WO-2021137646-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF 주식회사 레고켐바이오사이언스 2021-07-08 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-20230310640-A1 PYRROLOBENZODIAZEPINE DERIVATIVE AND LIGAND-LINKER CONJUGATE THEREOF BCR, PDCD1LG2, PRLHR ALDH1A1 1636/4885LMNA 4012/4885GLS 1999/4885

“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.