SCHEMBL30388118

SCHEMBL30388118

COc1cccc(C(=O)CNC(=O)c2cccc(CN3CCc4ccccc4C3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 7/20 0.56
▸ DRD4 P21917 3/20 0.56
▸ DRD3 P35462 3/20 0.56
▸ TMEM97 Q5BJF2 2/20 0.56
▸ DRD2 P14416 1/20 0.56
▸ HPGD P15428 1/20 0.54
▸ TNF P01375 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NOD1 Q9Y239 1/20 0.54
▸ WDR77 Q9BQA1 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ CHRM3 P20309 2/20 0.52
▸ CHRM2 P08172 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ ADRA1A P35348 1/20 0.51

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
SCHEMBL23014373 1.00 PRMT5 (0.56) PRMT5DRD4DRD3TMEM97DRD2
SCHEMBL30388069 0.88 PRMT5 (0.61) PRMT5DRD3DRD2HPGDWDR77
SCHEMBL23014428 0.88 PRMT5 (0.61) PRMT5DRD3DRD2HPGDWDR77
SCHEMBL23014313 0.82 CYP2C9 (0.66) DRD4L3MBTL1LMNACHRM3
SCHEMBL23014485 0.82 DRD4 (0.60) DRD4DRD2LMNACHRM3
SCHEMBL23014318 0.80 DRD4 (0.69) DRD4DRD3DRD2LMNA
SCHEMBL23014486 0.79 CHRM3 (0.51) DRD4HPGDL3MBTL1LMNACHRM3
SCHEMBL23014123 0.78 DRD4 (0.70) DRD4DRD3DRD2HPGDALDH1A1
SCHEMBL23014383 0.78 MEN1 (0.54) DRD4ALDH1A1LMNACHRM3
SCHEMBL23014349 0.78 KMT2A (0.57) DRD4ALDH1A1CHRM3

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 1 patent. 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

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 PRMT5 3822/4885DRD4 4526/4885DRD3 4695/4885

“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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