SCHEMBL25465034

SCHEMBL25465034

C=C/C=C\N=C(/C)N1CCN(Cc2ccc(C(=O)NCC(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ MCHR1 Q99705 1/20 0.43
▸ CCR2 P41597 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL24590616 0.78 HDAC1 (0.56) HDAC4HDAC1KCNH2ALDH1A1CCR2
SCHEMBL23014510 0.78 P2RY12 (0.53) HDAC4HDAC1KCNH2ALDH1A1POLB
SCHEMBL23014236 0.76 KDM4E (0.56) HDAC4HDAC1KCNH2ALDH1A1CCR2
SCHEMBL23014409 0.74 ALDH1A1 (0.73) HDAC1ALDH1A1POLBGAAKMT2A
SCHEMBL23014159 0.72 ALDH1A1 (0.57) HDAC4HDAC1KCNH2ALDH1A1MEN1
SCHEMBL23014335 0.72 SMN1; SMN2 (0.69) HDAC1ALDH1A1POLBMEN1KMT2A
SCHEMBL30388111 0.72 SMN1; SMN2 (0.69) HDAC1ALDH1A1POLBMEN1KMT2A
SCHEMBL23014311 0.72 L3MBTL1 (0.53) HDAC4HDAC1KCNH2ALDH1A1GAA
SCHEMBL23014255 0.71 DRD2 (0.68) KCNH2MAPK1
SCHEMBL23014235 0.71 HTR1A (0.58) HDAC4HDAC1KCNH2POLBHTR2A

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 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 HDAC4 334/4885HDAC1 34/4885KCNH2 1193/4885

“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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