SCHEMBL23914632

SCHEMBL23914632

COC(=O)Cc1nn(CCC2CCOCC2)c(=O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ALPL P05186 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HRH1 P35367 1/20 0.43
AKR1B1 P15121 1/20 0.43

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
SCHEMBL23914730 0.87 MAPT (0.57) MAPTPOLBKMT2AAKR1B1
SCHEMBL23915389 0.86 RECQL (0.52) RECQLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23914889 0.81 RECQL (0.56) RECQLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23915614 0.79 GPR39 (0.62) RECQLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23915510 0.78 S1PR2 (0.58) RECQLALDH1A1SMN1; SMN2MAPTTDP1
SCHEMBL23966572 0.78 RECQL (0.57) RECQLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23915512 0.77 TSHR (0.52) RECQLALDH1A1MAPTLMNATSHR
SCHEMBL9529811 0.77 RECQL (0.62) RECQLALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL23915394 0.77 RECQL (0.56) RECQLALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL23914890 0.76 HRH1 (0.55) RECQLALDH1A1SMN1; SMN2LMNATSHR

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 1509/4885ALDH1A1 944/4885SMN1; SMN2 2920/4885

“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.