SCHEMBL23973914

SCHEMBL23973914

CNC(=O)c1cc(C)c(C#N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ S1PR3 Q99500 3/20 0.43
▸ S1PR2 O95136 2/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ AR P10275 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ UPP1 Q16831 1/20 0.36
▸ SCN9A Q15858 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35

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
SCHEMBL1004036 0.75 HPGD (0.47) ALDH1A1HPGDSLC6A2SLC6A4SLC6A3
SCHEMBL23973915 0.75 ALDH1A1 (0.49) ALDH1A1HPGDGAASLC6A2SLC6A4
SCHEMBL30167527 0.73 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL23973916 0.73 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2AGAA
SCHEMBL6364562 0.72 HDAC6 (0.48) ALDH1A1HPGDMEN1KMT2AHDAC2
SCHEMBL29177276 0.72 KMT2A (0.39) ALDH1A1MEN1KMT2AGAAKDM4E
SCHEMBL20787390 0.72 S1PR3 (0.59) S1PR3S1PR2S1PR1ARSCN9A
SCHEMBL30167547 0.71 ALDH1A1 (0.45) ALDH1A1HPGDGAASLC6A2SLC6A4
SCHEMBL11959873 0.70 TAS1R3 (0.59) HPGDS1PR3MEN1KMT2ASLC6A2
SCHEMBL8918916 0.70 NPC1 (0.54) ALDH1A1HPGDMEN1KMT2AGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-08 — — US disclosed
WO-2021219089-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (CN) 2021-11-04 — — WO 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-20230174488-A1 SARS-COV-2 INHIBITORS HAVING COVALENT MODIFICATIONS FOR TREATING CORONAVIRUS INFECTIONS ACE2, SARS1, ACE ALDH1A1 1825/4885HPGD 1861/4885S1PR3 4386/4885

“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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