SCHEMBL5653632

SCHEMBL5653632

CCc1ccc(-c2ccc(C(=O)NCC(=O)NCC3COc4ccccc4O3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
AIMP2 Q13155 5/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2D6 P10635 2/20 0.70
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
RAB9A P51151 4/20 0.61
NPC1 O15118 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HPGD P15428 2/20 0.61
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
MAPT P10636 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
TAOK1 Q7L7X3 1/20 0.55
TAOK3 Q9H2K8 1/20 0.55
MTNR1A P48039 1/20 0.55
USP2 O75604 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL25337575 0.82 AIMP2 (1.00) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL25338050 0.78 AIMP2 (1.00) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL19002809 0.75 MTNR1A (0.71) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL14422176 0.73 TAOK1 (0.73) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL21348630 0.72 MTNR1A (0.70) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL21416050 0.72 MTNR1A (0.70) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL7202212 0.72 MTNR1A (1.00) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL25337402 0.72 AIMP2 (0.76) ALDH1A1AIMP2CYP1A2CYP2D6CYP2C9
SCHEMBL31458332 0.71 TAOK1 (1.00) ALDH1A1RAB9AHPGDMAPTTAOK1
SCHEMBL5652402 0.71 TAOK1 (1.00) ALDH1A1RAB9AHPGDMAPTTAOK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US claimed
US-20250354151-A1 INHIBITORY AGENT FOR MYOCARDIAL CELL DEATH, AND PROPHYLACTIC OR THERAPEUTIC AGENT FOR MYOCARDIAL DISORDERS OR HEART FAILURE KYOTO PREFECTURAL PUBLIC UNIV CORP (JP) 2025-11-20 US disclosed
EP-4534091-A1 INHIBITORY AGENT FOR MYOCARDIAL CELL DEATH, AND PROPHYLACTIC OR THERAPEUTIC AGENT FOR MYOCARDIAL DISORDERS OR HEART FAILURE KYOTO PREFECTURAL PUBLIC UNIVERSITY CORPORATION (JP) 2025-04-09 EP disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 US disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20250354151-A1 INHIBITORY AGENT FOR MYOCARDIAL CELL DEATH, AND PROPHYLACTIC OR THERAPEUTIC AGENT FOR MYOCARDIAL DISORDERS OR HEART FAILURE TNNI3, TNNC1, TNNT2 ALDH1A1 3769/4885AIMP2 2010/4885CYP1A2 4842/4885
US-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 ALDH1A1 4424/4885AIMP2 3791/4885CYP1A2 4873/4885

“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.