SCHEMBL23014104

SCHEMBL23014104

O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
HPGD P15428 3/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
RAB9A P51151 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
LMNA P02545 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 1/20 0.58
POLB P06746 3/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 1/20 0.57
BLM P54132 1/20 0.57
ATM Q13315 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL23014469 0.89 ALDH1A1 (0.63) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL6777037 0.88 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL10604299 0.85 ALDH1A1 (0.66) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP3A4
SCHEMBL27847244 0.85 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL8298064 0.84 TSHR (0.62) ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL1083633 0.83 MEN1 (0.77) ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL6160168 0.82 RAB9A (0.66) ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2
SCHEMBL8980467 0.81 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2LMNAL3MBTL1
SCHEMBL8534736 0.81 RAB9A (0.87) ALDH1A1HPGDSMN1; SMN2RAB9ALMNA
SCHEMBL8884550 0.81 ATM (0.67) ALDH1A1HPGDSMN1; SMN2CYP1A2CYP3A4

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 6 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

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 1404/4885HPGD 3115/4885SMN1; SMN2 4744/4885

“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.