SCHEMBL1490960

SCHEMBL1490960

CCCCNC(=O)Nc1ccc(B(O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.59
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
MITF O75030 1/20 0.57
RAB9A P51151 1/20 0.57
LMNA P02545 1/20 0.56
TRPV1 Q8NER1 2/20 0.53
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
EPHX2 P34913 1/20 0.50
S1PR1 P21453 1/20 0.50
NAMPT P43490 1/20 0.49
GHSR Q92847 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
SCHEMBL4050500 0.90 KMT2A (0.60) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL442780 0.83 TRPV1 (0.58) KMT2ANPC1TRPV1MEN1GHSR
SCHEMBL789375 0.82 EPHX1 (0.61) EPHX1ALDH1A1HTTMAPTEPHX2
SCHEMBL14424457 0.82 EPHX1 (0.64) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL8790471 0.82 ALDH1A1 (0.66) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL14424450 0.82 EPHX1 (0.64) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL14424475 0.82 EPHX1 (0.64) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11034317 0.82 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL11033138 0.82 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2
SCHEMBL6438783 0.82 EPHX1 (0.84) EPHX1ALDH1A1HTTHDAC1HDAC2

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 6 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
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-20070219228-A1 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-20 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-20070219228-A1 Aryl substituted imidazonaphthyridines IL2, IRF3, EIF2AK2 EPHX1 3156/4885ALDH1A1 1178/4885HTT 3412/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 EPHX1 1471/4885ALDH1A1 631/4885HTT 2467/4885

“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.