SCHEMBL18179935

SCHEMBL18179935

Cn1nnc2c1-c1ccccc1N(C(=O)C(C)(C)C)Cc1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B3 P37058 5/20 0.37
RIPK1 Q13546 3/20 0.37
NOTUM Q6P988 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDH1 O75874 1/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL23961966 0.89 HSD17B3 (0.37) KMT2AMEN1HSD17B3NOTUMSMN1; SMN2
SCHEMBL14887434 0.88 HSD17B3 (0.50) HSD17B3NOTUMSMN1; SMN2KDM4EHTT
SCHEMBL14296207 0.87 KMT2A (0.39) KMT2AMEN1HSD17B3RIPK1NOTUM
SCHEMBL25890671 0.87 KMT2A (0.37) KMT2AMEN1HSD17B3RIPK1NOTUM
SCHEMBL21366311 0.86 KMT2A (0.39) KMT2AMEN1HSD17B3RIPK1NOTUM
SCHEMBL26458710 0.86 HSD17B3 (0.39) KMT2AMEN1HSD17B3NOTUMSMN1; SMN2
SCHEMBL23961983 0.84 NOTUM (0.35) KMT2AMEN1HSD17B3NOTUMSMN1; SMN2
SCHEMBL24871031 0.84 HSD17B3 (0.37) HSD17B3NOTUMSMN1; SMN2KDM4EHTT
SCHEMBL15958791 0.84 KDM4E (0.50) KMT2AMEN1HSD17B3NOTUMSMN1; SMN2
SCHEMBL21366027 0.84 KMT2A (0.36) KMT2AMEN1HSD17B3RIPK1NOTUM

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-11400165-B2 Composition and method for modifying polypeptides ADVANCED PROTEOME THERAPEUTICS INC. (US) 2022-08-02 US disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2016-10-27 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 (4 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-11400165-B2 Composition and method for modifying polypeptides PTMS, SRMS, ACP1 KMT2A 1514/4885MEN1 1660/4885HSD17B3 4751/4885
US-20160311853-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, NGLY1, VIP KMT2A 4528/4885MEN1 1012/4885HSD17B3 3990/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 KMT2A 4406/4885MEN1 687/4885HSD17B3 3981/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 KMT2A 4406/4885MEN1 687/4885HSD17B3 3981/4885

“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.