SCHEMBL5849986

SCHEMBL5849986

O=C(Cc1nc(Br)c[nH]1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39
HTR7 P34969 1/20 0.38
PLOD2 O00469 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
LTA4H P09960 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL5849864 0.84 RAB9A (0.47) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL28306998 0.78 RAB9A (0.40) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL5850209 0.78 RAB9A (0.40) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL5093427 0.72 RAB9A (0.53) PTPN1RAB9ANPC1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL5851860 0.69 RAB9A (0.47) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6199282 0.67 PTPN1 (0.55) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6203410 0.67 PTPN1 (0.55) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL2645324 0.67 LTA4H (0.58) PTPN1RAB9ANPC1ALDH1A1MAPT
SCHEMBL6201900 0.67 RAB9A (0.59) PTPN1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL11271605 0.67 RAB9A (0.40) PTPN1RAB9ANPC1ALDH1A1MAPT

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
US-6984646-B2 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALHCARE AG (DE) 2006-01-10 US disclosed
EP-1412353-B1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-03-02 EP disclosed
US-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors BAYER HEALTHCARE AG (DE) 2004-11-04 US disclosed
EP-1412353-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
WO-2003008413-A1 IMIDAZOPYRIDINONES AS P38 MAP KINASE INHIBITORS BAYER HEALTHCARE AG (DE) 2003-01-30 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-20040220208-A1 Imidazopyridinones as p38 map kinase inhibitors MAPK1, MAPK3, MAP3K1 PTPN1 475/4885RAB9A 1505/4885NPC1 2843/4885

“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.