SCHEMBL1332467

SCHEMBL1332467

[CH2]C(C)(C)c1ncccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
HSP90AA1 P07900 2/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 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
SCHEMBL14333347 0.83 AXL (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL12203098 0.83 AXL (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL18397039 0.79 GRM4 (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL31068961 0.79 GRM4 (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL17260261 0.79 GRM4 (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL16836001 0.79 SMN1; SMN2 (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL15501756 0.79 JAK2 (0.33) AXLKDM4EALDH1A1SMN1; SMN2
SCHEMBL1332434 0.77 NOS3 (0.45) KDM4EKMT2ASMN1; SMN2HTTHSP90AA1
SCHEMBL24689311 0.76 AXL (0.35) AXLKDM4EMEN1KMT2AALDH1A1
SCHEMBL1331870 0.75 KDM4E (0.43) KDM4EKMT2AALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN PURDUE PHARMA L.P. (US) 2011-11-17 US disclosed
US-7799786-B2 Therapeutic agents useful for treating pain PURDUE PHARMA L.P. (US) 2010-09-21 US disclosed
US-20080153835-A1 Therapeutic agents useful for treating pain EURO-CELTIQUE S.A. 2008-06-26 US disclosed
EP-1556354-B1 THERAPEUTIC PIPERAZINE DERIVATES USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-01-23 EP disclosed
US-7279493-B2 cyanoiminopiperazines which inhibit vanilloid receptor 1 function in a cell EURO-CELTIQUE S.A. 2007-10-09 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-20080153835-A1 Therapeutic agents useful for treating pain CHRM2, CHRM1, MC1R AXL 4427/4885KDM4E 3412/4885MEN1 1532/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R AXL 4427/4885KDM4E 3412/4885MEN1 1532/4885

“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.