SCHEMBL18226717

SCHEMBL18226717

O=C(O)NCCCN1CCCC(F)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.46
BCHE P06276 4/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
L3MBTL3 Q96JM7 1/20 0.38
RAD52 P43351 1/20 0.38
EPHX1 P07099 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18226089 0.82 POLR1A (0.39) HTTCYP1A2L3MBTL1
SCHEMBL22729342 0.82 POLR1A (0.39) HTTCYP1A2L3MBTL1
SCHEMBL18233684 0.80 DRD2 (0.47) MEN1KMT2ATDP1EPHX1GAA
SCHEMBL9990414 0.78 SMN1; SMN2 (0.53) ALDH1A1KDM4ECYP1A2TP53CYP3A4
SCHEMBL18256915 0.78 CARM1 (0.42) BDKRB1BCHEL3MBTL1
SCHEMBL31124629 0.77 SMN1; SMN2 (0.44) BCHEALDH1A1KMT2ACYP1A2SMN1; SMN2
SCHEMBL3927091 0.77 BDKRB1 (0.36) BDKRB1BCHEALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL3927093 0.77 L3MBTL1 (0.37) BDKRB1BCHEL3MBTL1EPHX1
SCHEMBL9990508 0.77 SMN1; SMN2 (0.57) ALDH1A1KDM4ECYP1A2TP53CYP3A4
SCHEMBL30990368 0.76 PDCD1 (0.45) ALDH1A1TP53SMN1; SMN2EPHX1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 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 (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-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT BDKRB1 640/4885BCHE 1878/4885ALDH1A1 236/4885

“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.