SCHEMBL19149786

SCHEMBL19149786

O=[N+]([O-])c1ccc2sc(-c3cccc(F)c3F)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ILK Q13418 2/20 0.45
CYP1A2 P05177 1/20 0.43
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
RIPK1 Q13546 1/20 0.43
ACP1 P24666 1/20 0.41
KMT2A Q03164 2/20 0.40
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL19149759 0.91 APP (0.53) APPMMP2MMP9MMP8MMP13
SCHEMBL19149456 0.81 ILK (0.46) APPMMP2MMP9MMP8MMP13
SCHEMBL27507811 0.80 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL2248504 0.80 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL3201047 0.80 APP (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL19148562 0.79 APP (0.54) APPMMP2MMP9MMP8MMP13
SCHEMBL19148567 0.78 MAPT (0.55) APPMMP9MMP8MAPTALDH1A1
SCHEMBL19148634 0.77 APP (0.56) APPMMP2MMP9MMP8MMP13
SCHEMBL3201601 0.77 MEN1 (0.52) APPMMP2MMP9MMP8MMP13
SCHEMBL19149792 0.76 APP (0.62) APPMMP2MMP9MMP8MMP13

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
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof UNIVERSITY OF WASHINGTON (US) 2019-09-03 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
US-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2019-01-31 US disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 WO disclosed
WO-2017127627-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-07-27 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 (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-20190031649-A1 COMPOUNDS FOR TREATMENT OF TRYPANOSOMES AND NEUROLOGICAL PATHOGENS AND USES THEREOF TSPO, GBA1, NLN APP 2292/4885MMP2 1438/4885MMP9 1226/4885
US-10399966-B2 Compounds for treatment of trypanosomes and neurological pathogens and uses thereof TSPO, GBA1, NLN APP 2292/4885MMP2 1438/4885MMP9 1226/4885

“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.