SCHEMBL17716532

SCHEMBL17716532

Cc1nnc(-c2cccc(-c3c(C)c4ccc(N)cc4oc3=O)c2)nn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ SRC P12931 1/20 0.44
▸ NPC1 O15118 5/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL17716530 0.90 ERAP1 (0.47) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17716548 0.79 ERAP1 (0.50) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17717150 0.75 ATM (0.48) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17716531 0.72 ERAP1 (0.38) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL2000840 0.72 SRC (0.63) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL17716539 0.71 ERAP1 (0.38) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL30099332 0.69 ERAP1 (0.41) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL12521745 0.68 RXFP1 (0.50) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL13869289 0.68 ALDH1A1 (0.72) ERAP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17716551 0.67 SRC (0.57) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2

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

“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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