SCHEMBL29424964

SCHEMBL29424964

N#Cc1c(Br)ccc(N)c1F

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL22288637 1.00 TDP1 (0.32) TDP1L3MBTL1ADORA2AADORA1MEN1
SCHEMBL660639 0.83 KDM1A (0.32) TDP1L3MBTL1ADORA2AADORA1MEN1
SCHEMBL16680822 0.78 TRPV4 (0.37) TDP1L3MBTL1TRPV4
SCHEMBL22977517 0.78 L3MBTL1 (0.33) TDP1L3MBTL1ADORA2AADORA1MEN1
SCHEMBL30301279 0.78 TRPV4 (0.37) TDP1L3MBTL1TRPV4
SCHEMBL2597730 0.78 TRPV4 (0.37) ADORA2AADORA1ALDH1A1HSD17B10TRPV4
SCHEMBL29906554 0.78 TRPV4 (0.37) ADORA2AADORA1ALDH1A1HSD17B10TRPV4
SCHEMBL16122475 0.77 TRPV4 (0.36) TDP1L3MBTL1TRPV4
SCHEMBL23847038 0.75 TDP1 (0.42) TDP1L3MBTL1ADORA2AADORA1MEN1
SCHEMBL15264472 0.75 GRM6 (0.36) TDP1L3MBTL1ADORA2AADORA1MEN1

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-12240825-B2 Oxexin 1 receptor antagonists NXERA PHARMA UK LIMITED (GB) 2025-03-04 US disclosed
US-20220098165-A1 OXEXIN 1 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2022-03-31 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 (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-20220098165-A1 OXEXIN 1 RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, OXTR TDP1 3239/4885L3MBTL1 2222/4885ADORA2A 407/4885
US-12240825-B2 Oxexin 1 receptor antagonists HCRTR1, HCRTR2, OXTR TDP1 3239/4885L3MBTL1 2222/4885ADORA2A 407/4885

“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.