SCHEMBL22213622

SCHEMBL22213622

COC(=O)c1cc(OCc2ccccc2)ccc1NC(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
NPC1 O15118 5/20 0.54
ALOX12 P18054 1/20 0.54
RAB9A P51151 4/20 0.52
CASP3 P42574 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TAAR1 Q96RJ0 1/20 0.52
NR1H4 Q96RI1 5/20 0.50
ALOX5 P09917 2/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL22213559 0.93 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL22213632 0.90 NPC1 (0.57) MAPTNPC1RAB9ACASP3SENP7
SCHEMBL22213599 0.85 MEN1 (0.57) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL22213558 0.84 MEN1 (0.64) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL22213613 0.84 NR1H4 (0.57) KDM4EMAPTNPC1RAB9ACASP3
SCHEMBL22213597 0.83 GFER (0.53) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL22213620 0.83 ABCG2 (0.60) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL6336997 0.83 MAPT (0.66) KDM4EALDH1A1MAPTHPGDNPC1
SCHEMBL19554242 0.82 KDM4E (0.61) KDM4EALDH1A1MAPTNPC1ALOX12
SCHEMBL4895612 0.82 BRD4 (0.57) KDM4EALDH1A1MAPTHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
US-20200383967-A1 Novel Anthranilic Acid-Based Compound, and Pin1 Inhibitor, Therapeutic Agent for Inflammatory Diseases and Therapeutic Agent for Cancer That Use the Same HIROSHIMA UNIVERSITY (JP) 2020-12-10 US disclosed
EP-3680232-A1 NOVEL ANTHRANILIC ACID-BASED COMPOUND, AND Pin1 INHIBITOR, THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES AND THERAPEUTIC AGENT FOR CANCER THAT USE THE SAME Hiroshima University (JP) 2020-07-15 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 (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-20200383967-A1 Novel Anthranilic Acid-Based Compound, and Pin1 Inhibitor, Therapeutic Agent for Inflammatory Diseases and Therapeutic Agent for Cancer That Use the Same PIN1, NFKBIA, FKBP1A KDM4E 3254/4885ALDH1A1 3127/4885MAPT 775/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE KDM4E 4467/4885ALDH1A1 4006/4885MAPT 261/4885

“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.