SCHEMBL23014173

SCHEMBL23014173

CN(C)c1ccc(C(=O)CNC(=O)C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC2 Q92769 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
GAA P10253 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL23014120 0.80 ALDH1A1 (0.48) HPGDNPC1SMN1; SMN2HDAC1HDAC3
SCHEMBL23014274 0.80 KMT2A (0.49) SMN1; SMN2KMT2AALDH1A1MAPTITGB3
SCHEMBL20491195 0.80 KMT2A (0.51) NPC1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL23014327 0.79 SMN1; SMN2 (0.62) HPGDNPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL21774214 0.76 GSK3B (0.50) NPC1SMN1; SMN2KMT2AITGB3ITGA2B
SCHEMBL24590471 0.75 ALDH1A1 (0.55) HPGDNPC1SMN1; SMN2KMT2AHDAC1
SCHEMBL25424836 0.74 ALDH1A1 (0.64) HPGDNPC1SMN1; SMN2KMT2AHDAC1
SCHEMBL23014245 0.74 ALDH1A1 (0.46) HPGDNPC1SMN1; SMN2HDAC1HDAC3
SCHEMBL12634168 0.74 ALDH1A1 (0.52) HDAC1HDAC3HDAC2ALDH1A1HTT
SCHEMBL23023246 0.74 KMT2A (0.54) HPGDSMN1; SMN2KMT2AALDH1A1MAPT

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 8 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
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
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

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 HPGD 3115/4885NPC1 601/4885SMN1; SMN2 4744/4885

“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.