SCHEMBL25514529

SCHEMBL25514529

CC(C)(C)c1cc2nc[nH]c2cc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MMP12 P39900 1/20 0.43
▸ PRKCI P41743 1/20 0.42
▸ RAD52 P43351 1/20 0.41
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ PDPK1 O15530 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL14511179 0.77 MAPT (0.68) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL14419042 0.75 MAPT (0.46) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL12445185 0.74 MAPT (0.65) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL8931407 0.73 MAPT (0.44) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL12113060 0.73 MAPT (0.44) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL762009 0.72 MAPT (0.42) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10183214 0.72 MAPT (0.42) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL761114 0.72 PRKCI (0.53) MAPTKDM4EALDH1A1TDP1MMP12
Dimedazol SCHEMBL312977 0.71 MAPT (0.56) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL5151856 0.69 MAPT (0.61) MAPTKDM4EALDH1A1TDP1APEX1

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-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 — — US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 — — 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 (2 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-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 MAPT 4132/4885KDM4E 1129/4885ALDH1A1 876/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 MAPT 4132/4885KDM4E 1129/4885ALDH1A1 876/4885

“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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