SCHEMBL23023282

SCHEMBL23023282

O=C(CNC(=O)c1cccc(CC2CCN(c3ccccc3F)CC2)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.48
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ HDAC3 O15379 2/20 0.45
▸ HDAC4 P56524 2/20 0.45
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC7 Q8WUI4 2/20 0.45
▸ HDAC2 Q92769 2/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ HDAC11 Q96DB2 2/20 0.45
▸ HDAC8 Q9BY41 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ HDAC9 Q9UKV0 2/20 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
SCHEMBL23014163 0.89 CCR3 (0.55) ALDH1A1SMN1; SMN2CCR3
SCHEMBL23014309 0.84 CACNA1G (0.52) CHRM4NPC1RAB9AMEN1ALDH1A1
SCHEMBL23014311 0.75 L3MBTL1 (0.53) CHRM4NPC1RAB9AALDH1A1KMT2A
SCHEMBL3377135 0.73 ALDH1A1 (0.72) NPC1RAB9AMEN1ALDH1A1MAPK1
SCHEMBL23014306 0.70 L3MBTL1 (0.49) NPC1RAB9AMEN1ALDH1A1MAPK1
SCHEMBL23014441 0.69 HDAC8 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL23014160 0.68 CHRM3 (0.61) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL23014343 0.68 ALDH1A1 (0.60) NPC1RAB9AALDH1A1MAPK1KMT2A
SCHEMBL23014381 0.68 ALDH1A1 (0.52) NPC1RAB9AMEN1ALDH1A1MAPK1
SCHEMBL2768139 0.67 MAPT (0.50) KMT2ASMN1; SMN2CCR3CYP2C9CYP2C19

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
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
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 CHRM4 4842/4885NPC1 601/4885RAB9A 1996/4885

“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.

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