SCHEMBL21060746

SCHEMBL21060746

O=c1ccc(Cn2ncc3cc(I)ccc32)c[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
MLLT1 Q03111 1/20 0.35
KCNH2 Q12809 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SCN9A Q15858 1/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
CYP3A4 P08684 1/20 0.33
MCHR1 Q99705 1/20 0.33
KMO O15229 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GLS O94925 1/20 0.32
NOS1 P29475 1/20 0.32
BTK Q06187 1/20 0.32

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
SCHEMBL21058132 0.77 RECQL (0.46) RECQLTDP1HTT
SCHEMBL21060715 0.76 BRD4 (0.39) RECQLTDP1KCNH2QPCTQPCTL
SCHEMBL27787592 0.75 RECQL (0.46) RECQLTDP1ALDH1A1SCN9AKMO
SCHEMBL17630086 0.75 NR3C1 (0.39) ALDH1A1
SCHEMBL2443709 0.74 NPBWR1 (0.47) RECQLGRIN1GRIN2BQPCTQPCTL
SCHEMBL21060789 0.73 RECQL (0.38) RECQLTDP1KDM4CKCNH2QPCT
SCHEMBL21058074 0.71 EGFR (0.50) RECQLGRIN1GRIN2B
SCHEMBL21060650 0.71 GRIN1 (0.47) RECQLGRIN1GRIN2BQPCTQPCTL
SCHEMBL21060673 0.68 LOX (0.43) RECQLGRIN1GRIN2BQPCTQPCTL
SCHEMBL4479034 0.67 KMO (0.46) RECQLKMOGLS

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
EP-3728219-B1 SUBSTITUTED PYRROLIDINE AMIDES I GRUENENTHAL GMBH (DE) 2022-04-13 EP disclosed
EP-3728219-A1 SUBSTITUTED PYRROLIDINE AMIDES I Grünenthal GmbH (DE) 2020-10-28 EP disclosed
CN-111556867-A Substituted pyrrolidine amides I 格吕伦塔尔有限公司 2020-08-18 CN disclosed
US-10626106-B2 Substituted pyrrolidine amides I GRUENENTHAL GMBH (DE) 2020-04-21 US disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 US disclosed
US-20190185455-A1 Substituted Pyrrolidine Amides I GRUENENTHAL GMBH (DE) 2019-06-20 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-10626106-B2 Substituted pyrrolidine amides I NR3C1, NR3C2, NR5A1 RECQL 3232/4885TDP1 3265/4885KDM4C 3719/4885
US-20190185455-A1 Substituted Pyrrolidine Amides I NR3C1, NR3C2, NR5A1 RECQL 3232/4885TDP1 3265/4885KDM4C 3719/4885

“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.