SCHEMBL17422772

SCHEMBL17422772

COCn1c(I)cc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MCL1 Q07820 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KRAS P01116 3/20 0.33
PTGS2 P35354 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGER4 P35408 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
DNM1 Q05193 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL19252189 0.81 MCL1 (0.39) MAPTMTNR1AMTNR1BMCL1HTR2A
SCHEMBL17422764 0.75 MCL1 (0.41) MAPTMTNR1AMTNR1BMCL1HTR2A
SCHEMBL19179996 0.73 MCL1 (0.45) HSD17B10MCL1KRASKDM4E
SCHEMBL17433479 0.73 MTNR1A (0.38) HSD17B10MTNR1AMTNR1BMCL1HTR2A
SCHEMBL17422809 0.72 MCL1 (0.54) MAPTTSHRMCL1HTR2AHTR2C
SCHEMBL17422793 0.72 HTR7 (0.54) MAPTMCL1KDM4ERAB9AHTR7
SCHEMBL17422825 0.71 IDO1 (0.38) MAPTHSD17B10LMNATSHRDYRK1A
SCHEMBL17433483 0.70 HTR7 (0.46) MAPTLMNATSHRMEN1KMT2A
SCHEMBL20465167 0.69 GRIK1 (0.42) MAPTMCL1HTR2AHTR2CKRAS
SCHEMBL17422848 0.69 MAPK1 (0.52) MAPTLMNATSHRKMT2AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2017-08-03 US disclosed
WO-2016004513-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS SIMON FRASER UNIVERSITY (CA) 2016-01-14 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-20170216252-A1 ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS PDK1, PDK3, PDK2 MAPT 3760/4885HSD17B10 999/4885LMNA 2835/4885

“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.