SCHEMBL23014266

SCHEMBL23014266

COc1cccc(NC(=O)COc2ccccc2C(=O)NCC(=O)c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 4/20 0.67
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
TP53 P04637 2/20 0.67
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
NLRP3 Q96P20 1/20 0.54
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52
MITF O75030 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL23014294 0.91 MEN1 (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014299 0.90 MEN1 (0.58) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014419 0.88 PKM (0.59) RAB9AMAPTSMN1; SMN2TP53MEN1
SCHEMBL23014411 0.88 OPRD1 (0.57) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014269 0.88 MEN1 (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014177 0.87 MAPT (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL25464885 0.86 MEN1 (0.54) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014156 0.85 OPRD1 (0.54) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL23014289 0.84 MEN1 (0.57) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15285743 0.79 ALDH1A1 (0.72) NPC1RAB9AMAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO claimed
US-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND CELLGENTEK CO., LTD. (KR) 2023-05-18 US disclosed
EP-4019495-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND Cellgentek Co., Ltd (KR) 2022-06-29 EP disclosed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO disclosed
WO-2021034087-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND 주식회사 셀젠텍 2021-02-25 WO 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 (1 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-20230150924-A1 NOVEL COMPOUND HAVING CANCER METASTASIS INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR INHIBITING CANCER METASTASIS AND INVASION OR TREATING COLORECTAL CANCER, COMPRISING COMPOUND KNTC1, MED1, LEF1 NPC1 601/4885RAB9A 1996/4885MAPT 4050/4885

“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.