SCHEMBL22683677

SCHEMBL22683677

CCCCNC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 2/20 0.54
EPHX1 P07099 5/20 0.51
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.49
LPL P06858 5/20 0.49
LIPG Q9Y5X9 5/20 0.49
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA9 Q16790 3/20 0.47
NAMPT P43490 1/20 0.46
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45

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
SCHEMBL443866 0.92 MEN1 (0.52) HDAC1HDAC2EPHX1ALDH1A1HTT
SCHEMBL2380393 0.86 CA1 (0.49) ALDH1A1NPC1RAB9ALPLLIPG
SCHEMBL118986 0.86 CA1 (0.51) NPC1LPLLIPGCA1CA2
SCHEMBL440627 0.85 CNR1 (0.57) MAPTNPC1KMT2ALPLLIPG
SCHEMBL3732362 0.85 CA1 (0.48) ALDH1A1NPC1LPLLIPGCA1
SCHEMBL444777 0.85 CA1 (0.48) NPC1KMT2ALPLLIPGCA1
SCHEMBL31144570 0.83 POLB (0.57) HTTMAPTKMT2ALMNACA1
SCHEMBL2726754 0.82 CA1 (0.46) NPC1LPLLIPGCA1CA2
SCHEMBL443260 0.81 CA1 (0.49) ALDH1A1NPC1LPLLIPGCA1
SCHEMBL17393877 0.81 LPL (0.51) ALDH1A1RAB9ALPLLIPGCA1

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
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US disclosed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP 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-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 HDAC1 682/4885HDAC2 323/4885EPHX1 1471/4885

“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.