SCHEMBL23014237

SCHEMBL23014237

O=C(CNC(=O)c1ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ HTR1A P08908 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL23014167 0.90 POLB (0.61) POLBHTR1AALDH1A1KMT2AHTT
SCHEMBL1126947 0.80 POLB (0.75) POLBHTR1AALDH1A1KMT2AMAPT
SCHEMBL3151686 0.80 POLB (0.71) POLBALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL23014409 0.78 ALDH1A1 (0.73) POLBALDH1A1KMT2AHTTMAPT
SCHEMBL23014159 0.78 ALDH1A1 (0.57) HTR1AALDH1A1KMT2AHTTSMN1; SMN2
SCHEMBL8125916 0.77 MEN1 (0.68) POLBHTR1AALDH1A1KMT2AHTT
SCHEMBL24590616 0.77 HDAC1 (0.56) ALDH1A1KMT2ASMN1; SMN2HDAC3HDAC4
SCHEMBL23014311 0.77 L3MBTL1 (0.53) ALDH1A1KMT2ALMNAKDM4EGAA
SCHEMBL23014235 0.76 HTR1A (0.58) POLBHTR1AKMT2AHTTMAPT
SCHEMBL5206645 0.76 POLB (0.68) POLBALDH1A1KMT2AMAPTSMN1; SMN2

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 5 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
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 POLB 1305/4885HTR1A 4359/4885ALDH1A1 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.

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