SCHEMBL16870321

SCHEMBL16870321

C=NOCc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.55
ALDH1A1 P00352 3/20 0.44
TAAR1 Q96RJ0 3/20 0.43
MAOB P27338 5/20 0.43
LMNA P02545 2/20 0.42
USP2 O75604 1/20 0.42
MCL1 Q07820 1/20 0.41
PARP15 Q460N3 2/20 0.40
PARP10 Q53GL7 2/20 0.40
PARP14 Q460N5 1/20 0.40
PIK3CG P48736 1/20 0.39
MAPT P10636 2/20 0.37
PKM P14618 2/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37

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
SCHEMBL17986261 0.81 IDO1 (0.57) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL7803807 0.76 IDO1 (0.52) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL514224 0.76 IDO1 (0.61) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL5223243 0.75 TAAR1 (0.42) TAAR1MAOBMAPTKMT2ASMN1; SMN2
SCHEMBL18339323 0.75 GABRA1 (0.37) IDO1ALDH1A1MAPTKDM4EGAA
SCHEMBL2714973 0.75 IDO1 (0.67) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL31065556 0.75 IDO1 (0.67) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL17986361 0.75 IDO1 (0.50) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL17986360 0.75 IDO1 (0.50) IDO1ALDH1A1TAAR1MAOBLMNA
SCHEMBL25923618 0.75 IDO1 (0.50) IDO1ALDH1A1TAAR1MAOBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN claimed
CN-1299367-A 2' -deoxy hygromycin derivatives PFIZER PROD INC (US) 2001-06-13 CN claimed
US-20170000132-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 US disclosed
US-20170000132-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 US disclosed
WO-2015097237-A1 BENZOXABOROLE FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 WO disclosed
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 CN disclosed
CN-1299367-A 2' -deoxy hygromycin derivatives PFIZER PROD INC (US) 2001-06-13 CN 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-20170000132-A1 BENZOXABOROLE FUNGICIDES CYP4X1, BROX, CYP1B1 IDO1 893/4885ALDH1A1 1143/4885TAAR1 2883/4885

“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.