SCHEMBL23915394

SCHEMBL23915394

COC(=O)Cc1nn(CC(=O)C(C)(C)C)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
TSHR P16473 2/20 0.53
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.51
AKR1B1 P15121 5/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
S1PR2 O95136 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL23909042 0.87 TSHR (0.55) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL23915521 0.86 MAPT (0.69) TSHRALOX15MAPTAKR1B1KMT2A
SCHEMBL23914631 0.84 RECQL (0.60) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL9529811 0.83 RECQL (0.62) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL11985477 0.80 TSHR (0.76) TSHRALOX15MAPTCYP1A2CYP3A4
SCHEMBL23966572 0.79 RECQL (0.57) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL23914889 0.78 RECQL (0.56) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL11985505 0.78 LMNA (0.69) TSHRALDH1A1KMT2ASMN1; SMN2
SCHEMBL23915510 0.78 S1PR2 (0.58) RECQLTSHRALOX15ALDH1A1MAPT
SCHEMBL23914630 0.77 RECQL (0.55) RECQLTSHRALOX15ALDH1A1MAPT

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 RECQL 1509/4885TSHR 588/4885ALOX15 329/4885

“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.