SCHEMBL23014245

SCHEMBL23014245

C=CC(=O)NCC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HTT P42858 1/20 0.42
HDAC1 Q13547 11/20 0.42
HDAC6 Q9UBN7 10/20 0.42
HDAC10 Q969S8 8/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC2 Q92769 7/20 0.41
HDAC3 O15379 5/20 0.41
HDAC4 P56524 4/20 0.41
HDAC7 Q8WUI4 4/20 0.41
HDAC11 Q96DB2 4/20 0.41
HDAC9 Q9UKV0 4/20 0.41
HDAC5 Q9UQL6 4/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL3828720 0.82 TGM2 (0.51) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL195429 0.79 ALDH1A1 (0.49) ALDH1A1MAPTRAB9ANPC1KDM4E
SCHEMBL194549 0.78 MEN1 (0.52) ALDH1A1HPGDMAPTRAB9AKDM4E
SCHEMBL23014120 0.78 ALDH1A1 (0.48) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL1263581 0.78 TGM2 (0.63) ALDH1A1HPGDMAPTKDM4EHTT
SCHEMBL24590471 0.76 ALDH1A1 (0.55) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL328060 0.76 RAB9A (0.57) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL25424836 0.75 ALDH1A1 (0.64) ALDH1A1HPGDMAPTRAB9ANPC1
SCHEMBL12634168 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EHTTHDAC1HDAC6
SCHEMBL12573305 0.75 ALDH1A1 (0.53) ALDH1A1HPGDMAPTRAB9ANPC1

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 1404/4885HPGD 3115/4885MAPT 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.