SCHEMBL23014138

SCHEMBL23014138

O=C(CNC(=O)c1ccccc1CN1CCOCC1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ POLB P06746 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ CBLB Q13191 3/20 0.47
▸ TSHR P16473 1/20 0.45
▸ CYP2A13 Q16696 4/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL16566875 0.89 CBLB (0.49) ALDH1A1KMT2APOLBSMN1; SMN2HIF1A
SCHEMBL23014307 0.83 HTR1A (0.56) ALDH1A1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL23014409 0.81 ALDH1A1 (0.73) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL11152322 0.80 GAA (0.58) ALDH1A1MAPTKMT2ASMN1; SMN2CYP2A13
SCHEMBL23014109 0.80 L3MBTL1 (0.51) ALDH1A1KMT2APOLBKDM4ETSHR
SCHEMBL29733708 0.80 L3MBTL1 (0.51) ALDH1A1KMT2APOLBKDM4ETSHR
SCHEMBL23014306 0.80 L3MBTL1 (0.49) ALDH1A1MAPTKMT2APOLBKDM4E
SCHEMBL23014093 0.80 ALDH1A1 (0.57) ALDH1A1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL23014343 0.80 ALDH1A1 (0.60) ALDH1A1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL23014362 0.79 HTR1A (0.57) ALDH1A1POLBKDM4ESMN1; SMN2TSHR

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
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 ALDH1A1 1404/4885MAPT 4050/4885KMT2A 793/4885

“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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