SCHEMBL6769597

SCHEMBL6769597

COC(=O)[C@@H]1CC(SCc2ccc(Br)cc2)CN1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
DNMT1 P26358 1/20 0.38
RAB9A P51151 1/20 0.38
CTSC P53634 3/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
EPHX1 P07099 2/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A2 P23975 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
SCHEMBL6769601 1.00 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTDNMT1RAB9A
SCHEMBL6949068 0.77 KMT2A (0.41) ALDH1A1SMN1; SMN2HTTRAB9ALMNA
SCHEMBL3196017 0.76 GRIK1 (0.40) ALDH1A1SMN1; SMN2CTSCLMNAKMT2A
SCHEMBL7143288 0.76 GRIK1 (0.40) ALDH1A1SMN1; SMN2CTSCLMNAKMT2A
SCHEMBL5285064 0.76 GRIK1 (0.40) ALDH1A1SMN1; SMN2CTSCLMNAKMT2A
SCHEMBL12028129 0.76 EPHX2 (0.42) ALDH1A1SMN1; SMN2HTTCTSC
SCHEMBL6769032 0.76 EPHX2 (0.42) ALDH1A1SMN1; SMN2HTTCTSC
SCHEMBL6769030 0.76 EPHX2 (0.42) ALDH1A1SMN1; SMN2HTTCTSC
SCHEMBL9206135 0.75 IDO1 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL8435810 0.74 IDO1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710064-B2 FOR THERAPY OF INFLAMMATORY OR IMMUNE DISEASES BRISTOL-MYERS SQUIBB CO. 2004-03-23 US disclosed
EP-1339718-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2003-09-03 EP disclosed
US-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2002-10-03 US disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 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-20020143035-A1 Hydantoin compounds useful as anti-inflammatory agents HRH4, IL4I1, HRH2 ALDH1A1 1272/4885SMN1; SMN2 4078/4885HTT 983/4885

“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.