SCHEMBL19475366

SCHEMBL19475366

Nc1cc(Br)ccc1B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
PLAU P00749 1/20 0.35
MAPK1 P28482 3/20 0.35
ALOX15 P16050 2/20 0.35
GPR35 Q9HC97 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
BACE1 P56817 1/20 0.33
ERN1 O75460 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8715929 0.78 TSHR (0.46) CA1CA2TSHRMAPTALDH1A1
SCHEMBL14287217 0.76 CASP1 (0.48) CA1CA2TSHRKDM4EMAPT
SCHEMBL29650713 0.76 ALOX15 (0.48) CA1CA2TSHRMAPTALDH1A1
SCHEMBL16049999 0.76 ALOX15 (0.48) CA1CA2TSHRMAPTALDH1A1
SCHEMBL28522838 0.74 ALOX15 (0.46) CA1CA2TSHRMAPTALDH1A1
SCHEMBL3781684 0.74 CA14 (0.48) CA1CA2KDM4EALDH1A1PLAU
SCHEMBL28939320 0.74 ENPP2 (0.46) CA1CA2TSHRKDM4EALDH1A1
SCHEMBL31589865 0.74 ALOX15 (0.54) CA1CA2TSHRKDM4EMAPT
SCHEMBL9848214 0.74 CA1 (0.42) CA1CA2TSHRALDH1A1MEN1
SCHEMBL3784363 0.74 ALOX15 (0.54) CA1CA2TSHRKDM4EMAPT

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-20190127368-A1 NLRP3 MODULATORS IFM THERAPEUTICS INC (US) 2019-05-02 US disclosed
WO-2017184735-A1 NLRP3 MODULATORS IFM THERAPEUTICS, INC (US) 2017-10-26 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-20190127368-A1 NLRP3 MODULATORS NLRP3, TLR7, TLR8 CA1 4129/4885CA2 3170/4885TSHR 3174/4885

“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.