SCHEMBL23014252

SCHEMBL23014252

O=C(CNC(=O)c1ccc(Cl)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
MAPT P10636 1/20 0.61
THRB P10828 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
NAMPT P43490 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
ROCK2 O75116 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PLOD2 O00469 1/20 0.53
EGFR P00533 1/20 0.52

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
SCHEMBL2817973 0.86 THRB (0.59) MAPTTHRBCYP11B1CYP11B2RAB9A
SCHEMBL14212112 0.82 ALDH1A1 (0.62) TSHRMAPTTHRBSMN1; SMN2NPC1
SCHEMBL23014479 0.82 KMT2A (0.73) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6200322 0.81 MEN1 (0.62) TSHRMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10168025 0.80 THRB (0.56) TSHRMAPTTHRBSMN1; SMN2NPC1
SCHEMBL21391314 0.80 THRB (0.63) TSHRMAPTTHRBSMN1; SMN2NPC1
SCHEMBL15973481 0.79 PLOD2 (0.67) THRBSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11629091 0.78 KMT2A (0.80) TSHRMAPTSMN1; SMN2NPC1NAMPT
SCHEMBL1609104 0.77 PYGL (0.67)
SCHEMBL21391283 0.77 CYP3A4 (0.64) TSHRMAPTSMN1; SMN2NAMPTALDH1A1

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 4 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
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 TSHR 4826/4885MAPT 4050/4885THRB 4208/4885

“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.