SCHEMBL1772088

SCHEMBL1772088

C=CC(N)c1ccc(O)c2ncccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.53
▸ IDO1 P14902 3/20 0.53
▸ HSP90AB1 P08238 1/20 0.53
▸ PSMB5 P28074 1/20 0.53
▸ CYP2C19 P33261 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ KDM4E B2RXH2 10/20 0.49
▸ L3MBTL1 Q9Y468 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HTT P42858 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MPI P34949 1/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ METAP2 P50579 1/20 0.49
▸ METAP1 P53582 1/20 0.49

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
SCHEMBL8335177 0.80 HSP90AA1 (0.57) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL11277500 0.77 CYP2C19 (0.60) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL1773408 0.77 IDO1 (0.48) IDO1MAPTTDP1APP
SCHEMBL24716144 0.76 KDM4E (0.61) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL13797358 0.76 CYP2C19 (0.62) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL28124508 0.75 CYP2C19 (0.66) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL28124509 0.75 CYP2C19 (0.66) HSP90AA1IDO1HSP90AB1PSMB5CYP2C19
SCHEMBL7258719 0.72 KDM4E (0.70) HSP90AA1IDO1HSP90AB1PSMB5KDM4E
SCHEMBL1920452 0.72 KDM4E (0.70) HSP90AA1IDO1HSP90AB1PSMB5KDM4E
SCHEMBL28677018 0.71 KDM4E (0.68) HSP90AA1IDO1HSP90AB1PSMB5KDM4E

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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. 2011-05-12 — — US disclosed
WO-2009127669-A2 IDO INHIBITORS AND THERAPEUTIC USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH LTD (US) 2009-10-22 — — WO 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-20110112282-A1 IDO INHIBITORS AND THERAPEUTIC USES THEREOF IDO1, IDO2, IDH3B HSP90AA1 2590/4885IDO1 1/4885HSP90AB1 1611/4885

“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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