SCHEMBL21151955

SCHEMBL21151955

Cc1nnc(-c2ccc(CNC(=O)C(C)C)cc2)nn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50
▸ HDAC1 Q13547 2/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ PTGES O14684 3/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SMO Q99835 1/20 0.39

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
SCHEMBL26157078 0.85 ERCC1 (0.50) ERCC1ERCC4HDAC1KMT2AMEN1
SCHEMBL18119788 0.83 KMT2A (0.56) HDAC1KMT2AMAPTPOLBALDH1A1
SCHEMBL24558042 0.82 ERCC1 (0.64) ERCC1ERCC4HDAC1KMT2AMEN1
SCHEMBL25457450 0.82 CA1 (0.51) HDAC1BACE1
SCHEMBL18119800 0.81 POLB (0.46) HDAC1KMT2AMEN1LMNAPOLB
SCHEMBL12131750 0.80 ERCC1 (0.70) ERCC1ERCC4HDAC1KMT2AMEN1
SCHEMBL27353844 0.80 HPGDS (0.49) ERCC1ERCC4HDAC1KMT2AMAPT
SCHEMBL24832505 0.78 ALDH1A1 (0.59) HDAC1KMT2AMEN1LMNAMAPT
SCHEMBL12757443 0.77 KMT2A (0.63) ERCC1ERCC4KMT2AMEN1LMNA
SCHEMBL25457352 0.77 HTT (0.58) KMT2AMEN1LMNAGAAALDH1A1

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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 — — US disclosed
US-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS MC SAF (FR) 2023-09-07 — — US disclosed
WO-2023012437-A1 ANTIBODY-DRUG CONJUGATES MC SAF (FR) 2023-02-09 — — WO disclosed
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2019-07-11 — — 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 (2 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-20230277678-A1 COMPOUNDS CAPABLE OF BINDING TO PROTEINS AND CONJUGATES OBTAINED FROM THESE COMPOUNDS SHBG, SERPINA6, F13B ERCC1 1326/4885ERCC4 1107/4885HDAC1 1815/4885
US-20190211060-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR ERCC1 1057/4885ERCC4 737/4885HDAC1 2709/4885

“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.

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