SCHEMBL23014241

SCHEMBL23014241

O=C(CNC(=O)c1cccc(Cl)c1Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 2/20 0.59
P2RX7 Q99572 4/20 0.56
ERCC5 P28715 1/20 0.53
FEN1 P39748 1/20 0.53
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SMO Q99835 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL23014176 0.90 P2RX7 (0.58) GPR139P2RX7ERCC5FEN1TMEM97
SCHEMBL14597973 0.89 NPC1 (0.58) GPR139ERCC5FEN1ALDH1A1MEN1
SCHEMBL8743573 0.84 GPR139 (0.60) GPR139P2RX7ERCC5FEN1TMEM97
SCHEMBL23014114 0.84 TMEM97 (0.49) GPR139P2RX7ERCC5FEN1TMEM97
SCHEMBL9491955 0.80 TAS1R3 (0.57) GPR139P2RX7ERCC5FEN1TMEM97
SCHEMBL9009113 0.80 MEN1 (0.56) GPR139P2RX7ALDH1A1MEN1KMT2A
SCHEMBL6203260 0.78 POLB (0.56) P2RX7ERCC5FEN1TMEM97SIGMAR1
SCHEMBL23014512 0.78 HPGD (0.54) ALDH1A1MEN1KMT2ATSHRHTT
Methane SCHEMBL11817621 0.78 KDM4E (0.58) ALDH1A1MEN1KMT2AHTTMAPT
SCHEMBL28359528 0.78 TSHR (0.56) P2RX7ERCC5FEN1TMEM97SIGMAR1

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 GPR139 2002/4885P2RX7 4528/4885ERCC5 2784/4885

“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.