SCHEMBL31697147

SCHEMBL31697147

O=C(O)c1c(Br)cc2c(c1F)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LARS1 Q9P2J5 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL22208563 1.00 SMN1; SMN2 (0.45) SMN1; SMN2HPGDMEN1KMT2ANPSR1
SCHEMBL24328780 0.81 MAPT (0.42) SMN1; SMN2HPGDMEN1KMT2AALDH1A1
SCHEMBL9386246 0.80 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMEN1KMT2ANPSR1
SCHEMBL27253937 0.79 SMN1; SMN2 (0.46) SMN1; SMN2HPGDMEN1KMT2ANPSR1
SCHEMBL22219706 0.77 HDAC4 (0.39) SMN1; SMN2HDAC4
SCHEMBL22219705 0.77 SMN1; SMN2 (0.33) SMN1; SMN2HDAC4
SCHEMBL24328813 0.76 MAPT (0.46) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL31395686 0.71 TTR (0.47) SMN1; SMN2HPGDMEN1KMT2ANPSR1
SCHEMBL30200421 0.71 NPSR1 (0.41) SMN1; SMN2HPGDMEN1KMT2ANPSR1
SCHEMBL15988843 0.71 NPSR1 (0.41) SMN1; SMN2HPGDMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 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 (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-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A SMN1; SMN2 349/4885HPGD 1512/4885MEN1 3203/4885

“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.