SCHEMBL20208910

SCHEMBL20208910

CCOC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.45
▸ CETP P11597 3/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HIF1A Q16665 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ THPO P40225 2/20 0.42
▸ PMP22 Q01453 2/20 0.42
▸ GMNN O75496 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ CYP3A4 P08684 3/20 0.41
▸ ALOX15 P16050 2/20 0.41

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
SCHEMBL22240387 0.85 LMNA (0.51) LMNAKMT2ACETPALDH1A1SMN1; SMN2
SCHEMBL24251989 0.85 LMNA (0.47) LMNAKMT2AHDAC6CETPALDH1A1
Melphalan Flufenamide SCHEMBL20208719 0.84 LMNA (0.53) LMNAKMT2ACETPALDH1A1SMN1; SMN2
Melphalan Flufenamide SCHEMBL24101233 0.84 LMNA (0.53) LMNAKMT2ACETPALDH1A1SMN1; SMN2
Melphalan Flufenamide SCHEMBL18239898 0.84 LMNA (0.53) LMNAKMT2ACETPALDH1A1SMN1; SMN2
SCHEMBL30915227 0.84 ALDH1A1 (0.48) LMNAKMT2AHDAC6ALDH1A1SMN1; SMN2
SCHEMBL29227595 0.84 ALDH1A1 (0.48) LMNAKMT2AHDAC6ALDH1A1SMN1; SMN2
Melphalan Flufenamide SCHEMBL29375249 0.83 LMNA (0.52) LMNAKMT2ACETPALDH1A1SMN1; SMN2
SCHEMBL24506990 0.80 LMNA (0.46) LMNAKMT2ACETPALDH1A1SMN1; SMN2
SCHEMBL18239928 0.80 CTSS (0.53) LMNAKMT2AALDH1A1MAPT

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-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 — — US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 — — 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH LMNA 2888/4885KMT2A 2094/4885HDAC6 3055/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH LMNA 2888/4885KMT2A 2094/4885HDAC6 3055/4885

“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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