SCHEMBL23014398

SCHEMBL23014398

COc1cc(OC)cc(C(=O)NCC(=O)c2ccc(N(C)C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GPR139 Q6DWJ6 1/20 0.48
MAPT P10636 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.46
ROCK2 O75116 1/20 0.46
CALM1 P0DP23 1/20 0.46
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL23014158 0.89 MAPT (0.58) KDM4EGAASMN1; SMN2KMT2AMAPT
SCHEMBL23014493 0.83 KDM4E (0.61) KDM4EGAASMN1; SMN2TSHRMEN1
SCHEMBL23014360 0.83 KDM4E (0.65) KDM4EGAASMN1; SMN2TSHRMEN1
SCHEMBL23014396 0.82 ALDH1A1 (0.54) KDM4EGAASMN1; SMN2KMT2AMAPT
SCHEMBL23014365 0.81 ALDH1A1 (0.51) KDM4EKMT2AGPR139MAPTRAB9A
SCHEMBL12634168 0.79 ALDH1A1 (0.52) KDM4EGAAALDH1A1HTT
SCHEMBL12633569 0.78 RAB9A (0.50) KDM4ESMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1193504 0.78 NPC1 (0.65) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL23014292 0.77 KMT2A (0.56) KDM4EGAASMN1; SMN2MEN1KMT2A
SCHEMBL23014334 0.77 ALDH1A1 (0.67) KDM4EMEN1KMT2AMAPTALDH1A1

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 3 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

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 KDM4E 1427/4885GAA 4498/4885SMN1; 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.