SCHEMBL17059407

SCHEMBL17059407

CC(=O)c1cccc(CCCN)c1CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.41
DHODH Q02127 2/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
TLR8 Q9NR97 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
IAPP P10997 1/20 0.33
KDM4E B2RXH2 1/20 0.32
BID P55957 3/20 0.32
MCL1 Q07820 3/20 0.32
BCL2L1 Q07817 2/20 0.32
BAK1 Q16611 2/20 0.32
KAT8 Q9H7Z6 2/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
EP300 Q09472 1/20 0.32

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
SCHEMBL17059415 0.90 HMGB1 (0.45) HMGB1DHODHLMNAALDH1A1TLR8
SCHEMBL26418188 0.85 HMGB1 (0.38) HMGB1DHODHLMNAALDH1A1TLR8
SCHEMBL17058845 0.84 HMGB1 (0.40) HMGB1DHODHALDH1A1TLR8MPO
SCHEMBL1899412 0.80 SMN1; SMN2 (0.40) HMGB1LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL12475575 0.77 BID (0.43) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL12475592 0.77 BID (0.43) IAPPKDM4EBIDMCL1BCL2L1
SCHEMBL12475388 0.75 BID (0.42) IAPPBIDMCL1BCL2L1BAK1
SCHEMBL6899966 0.75 HMGB1 (0.50) HMGB1DHODHBIDMCL1BCL2L1
SCHEMBL17058852 0.75 HMGB1 (0.43) HMGB1DHODHALDH1A1TLR8MPO
SCHEMBL8017596 0.75 PNMT (0.40) TLR8MPOSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3077008-B1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS HAN JIE (CN) 2023-10-04 EP disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HMGB1 535/4885DHODH 501/4885LMNA 1576/4885

“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.