SCHEMBL1333629

SCHEMBL1333629

[CH2]C(C)(C)c1ncccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.33
HSP90AA1 P07900 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ERBB2 P04626 1/20 0.32
TP53 P04637 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
SLC6A2 P23975 1/20 0.32
MAPK3 P27361 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
STAT6 P42226 1/20 0.32

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
SCHEMBL2177801 0.83 HDAC8 (0.36) HDAC8HSP90AA1KDM4EMEN1USP2
SCHEMBL1628608 0.79 JAK2 (0.36) HDAC8
SCHEMBL1332434 0.77 NOS3 (0.45) HSP90AA1KDM4ELMNAHTTKMT2A
SCHEMBL1332467 0.75 AXL (0.33) HSP90AA1KDM4EMEN1USP2ALDH1A1
SCHEMBL1331832 0.75 MAPT (0.35) KDM4EHTTL3MBTL1
SCHEMBL1334085 0.75 LMNA (0.36) HSP90AA1KDM4EMEN1ALDH1A1LMNA
SCHEMBL1331870 0.75 KDM4E (0.43) HDAC8KDM4EUSP2ALDH1A1HPGD
SCHEMBL3150279 0.74 HDAC8 (0.36) HDAC8HSP90AA1KDM4EMEN1USP2
SCHEMBL28324936 0.73 RAB9A (0.40) HDAC8KDM4EMEN1ALDH1A1LMNA
SCHEMBL22140134 0.73 TLR8 (0.32) KDM4EALDH1A1HPGDHSD17B10

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 HDAC8 2174/4885HSP90AA1 3182/4885KDM4E 3412/4885
US-20110281885-A1 THERAPEUTIC AGENTS USEFUL FOR TREATING PAIN CHRM2, CHRM1, MC1R HDAC8 2174/4885HSP90AA1 3182/4885KDM4E 3412/4885

“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.