SCHEMBL17716540

SCHEMBL17716540

Cc1c(-c2cccc(-c3nncc4c3CCCC(O)CC4)c2)c(=O)oc2cc(N)ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 2/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SRC P12931 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 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
SCHEMBL17716539 0.87 ERAP1 (0.38) ERAP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17717344 0.84 ATM (0.40) ERAP1
SCHEMBL17716542 0.81 — —
SCHEMBL17716530 0.73 ERAP1 (0.47) ERAP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17717163 0.72 ATM (0.41) ERAP1
SCHEMBL17716532 0.70 ERAP1 (0.48) ERAP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17716538 0.68 MCL1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL17716548 0.66 ERAP1 (0.50) ERAP1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17717413 0.60 ATM (0.47) ERAP1KDM4EALDH1A1HPGDMAPT
SCHEMBL2000840 0.60 SRC (0.63) KDM4EALDH1A1HPGDSMN1; SMN2MAPT

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 3 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
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 ERAP1 3627/4885KDM4E 4205/4885ALDH1A1 2490/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ERAP1 3604/4885KDM4E 4214/4885ALDH1A1 2947/4885

“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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