SCHEMBL23014346

SCHEMBL23014346

O=C(CNC(=O)c1ccc(F)c(F)c1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAOB P27338 1/20 0.49
KCNQ3 O43525 2/20 0.48
KCNQ2 O43526 2/20 0.48
KCNQ5 Q9NR82 1/20 0.48
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
ROCK2 O75116 1/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KCNE1 P15382 1/20 0.46
KCNQ1 P51787 1/20 0.46

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
SCHEMBL23014381 0.88 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL6200322 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL23014277 0.84 SLC6A9 (0.58) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL23014128 0.82 ALDH1A1 (0.45) ALDH1A1MAPTCES2CES1
SCHEMBL23014293 0.82 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL23014097 0.81 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL342843 0.80 KDM4E (0.56) ALDH1A1MAPTKCNQ3KCNQ2KCNQ5
SCHEMBL23014187 0.80 RAB9A (0.54) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL6205329 0.79 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTTSHR
SCHEMBL23014479 0.79 KMT2A (0.73) MEN1KMT2AALDH1A1MAPTCYP1A2

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 MEN1 410/4885KMT2A 793/4885ALDH1A1 1404/4885

“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.