SCHEMBL23014152

SCHEMBL23014152

CN(C)c1ccc(C(=O)CNC(=O)c2ccco2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
RCE1 Q9Y256 1/20 0.61
NPC1 O15118 4/20 0.54
MAPT P10636 4/20 0.53
RAB9A P51151 4/20 0.53
PKM P14618 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
GFER P55789 1/20 0.53
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL23014488 0.83 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAANPC1RAB9A
SCHEMBL28928816 0.82 KMT2A (0.64) ALDH1A1SMN1; SMN2GAANPC1MAPT
SCHEMBL23014296 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL28928853 0.82 KMT2A (0.72) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL28928844 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL28928860 0.77 RAB9A (0.55) ALDH1A1SMN1; SMN2GAANPC1MAPT
SCHEMBL12634168 0.76 ALDH1A1 (0.52) ALDH1A1GAAKDM4EPOLB
SCHEMBL13074753 0.75 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GAAKDM4ENPC1
SCHEMBL2969896 0.75 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9APKM
SCHEMBL23014334 0.74 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTKMT2APOLB

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
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 claimed
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 claimed
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

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 ALDH1A1 1404/4885SMN1; SMN2 4744/4885GAA 4498/4885

“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.