SCHEMBL17717150

SCHEMBL17717150

Cc1nnc(-c2cccc(-c3c(C)c4cc5c(cc4oc3=O)NCCC5)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.48
▸ AR P10275 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.37
▸ ABCB1 P08183 1/20 0.33
▸ PSMB8 P28062 3/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL17717413 0.91 ATM (0.47) ATMARERAP1ABCB1PSMB8
SCHEMBL17717149 0.84 ATM (0.57) ATMARERAP1ABCB1PSMB8
SCHEMBL17717370 0.82 ATM (0.50) ATMARERAP1KDM4EALDH1A1
SCHEMBL17717163 0.76 ATM (0.41) ATMARERAP1
SCHEMBL17717344 0.76 ATM (0.40) ATMARERAP1
SCHEMBL17716532 0.75 ERAP1 (0.48) ERAP1ABCB1KDM4EALDH1A1NPC1
SCHEMBL17716529 0.73 MCL1 (0.46) ATMABCB1KDM4EALDH1A1NPC1
SCHEMBL17717371 0.71 ATM (0.64) ATMARABCB1KDM4EALDH1A1
SCHEMBL22100626 0.69 ATM (0.61) ATMARKDM4EALDH1A1NPC1
SCHEMBL17717500 0.66 ATM (1.00) ATMARKDM4EALDH1A1GLA

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
US-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — 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-20160121002-A1 Bioorthogonal Turn-on Probes MPI, TIPRL, BAZ1A ATM 3905/4885AR 3741/4885ERAP1 3627/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ATM 3957/4885AR 3709/4885ERAP1 3604/4885

“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.

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