SCHEMBL21041192

SCHEMBL21041192

O=C(NC[C@H]1CCCCN1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PREP P48147 2/20 0.47
EPHX1 P07099 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
LTA4H P09960 2/20 0.45
SCN9A Q15858 1/20 0.45

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
SCHEMBL28351994 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL4154315 0.96 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL8246719 0.96 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL4741712 0.96 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL4741718 0.95 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL4741714 0.95 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL9075691 0.84 HTT (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9075694 0.84 HTT (0.56) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL14451638 0.82 CTSK (0.60)
SCHEMBL18917465 0.81 POLB (0.56) ALDH1A1MEN1KMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
EP-3601297-B1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2022-10-19 EP disclosed
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 US disclosed
US-10821115-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-11-03 US disclosed
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2020-06-04 US disclosed
US-10632128-B2 Compounds that inhibit Mcl-1 protein AMGEN INC. (US) 2020-04-28 US disclosed
CN-110691784-A Compounds that inhibit MCL-1 protein 美国安进公司 2020-01-14 CN disclosed
US-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC. (US) 2019-07-04 US disclosed
US-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 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 (6 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-20190201412-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885MEN1 761/4885KMT2A 1644/4885
US-10821115-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885MEN1 761/4885KMT2A 1644/4885
US-10632128-B2 Compounds that inhibit Mcl-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885MEN1 761/4885KMT2A 1644/4885
US-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885MEN1 761/4885KMT2A 1644/4885
US-20200171043-A1 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN MCL1, BCL9, BCL2L1 ALDH1A1 1575/4885MEN1 761/4885KMT2A 1644/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 ALDH1A1 1452/4885MEN1 711/4885KMT2A 1649/4885

“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.