SCHEMBL21040872

SCHEMBL21040872

CS(=O)(=O)N1CCCNCCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
MYLK Q15746 3/20 0.41
MEN1 O00255 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
NFKB1 P19838 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 5/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTOR P42345 1/20 0.40
RAB9A P51151 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL92545 0.98 KDM4E (0.56) KDM4EKMT2ACYP3A4CYP2D6MYLK
Hydrochloric Acid SCHEMBL189869 0.96 KDM4E (0.54) KDM4EKMT2ACYP3A4CYP2D6MYLK
SCHEMBL8742086 0.91 KDM4E (0.50) KDM4EKMT2ACYP2D6MEN1TP53
Piperazine SCHEMBL28080505 0.91 KDM4E (0.50) KDM4EKMT2ACYP2D6MEN1TP53
Piperidine SCHEMBL28145582 0.89 KDM4E (0.56) KDM4EKMT2ACYP3A4CYP2D6MYLK
SCHEMBL5013 0.89 KDM4E (0.52) KDM4EKMT2ACYP2D6MEN1TP53
SCHEMBL477197 0.89 KDM4E (0.52) KDM4EKMT2ACYP2D6MEN1TP53
Hydrochloric Acid SCHEMBL311054 0.86 KDM4E (0.50) KDM4EKMT2ACYP2D6MEN1TP53
Potassium SCHEMBL30601760 0.86 KDM4E (0.50) KDM4EKMT2ACYP2D6MEN1TP53
SCHEMBL24199230 0.84 KDM4E (0.42) KDM4EKMT2ACYP3A4CYP2D6MYLK

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
US-11224601-B1 Compounds that inhibits MCL-1 protein AMGEN INC. (US) 2022-01-18 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 (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-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 KDM4E 1931/4885KMT2A 1644/4885CYP3A4 4129/4885
US-11224601-B1 Compounds that inhibits MCL-1 protein MCL1, BCL9, BCL2L1 KDM4E 1903/4885KMT2A 1649/4885CYP3A4 4103/4885

“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.