SCHEMBL4980970

SCHEMBL4980970

CN(C)CCCNC(=O)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR3 P25089 3/20 0.37
FPR2 P25090 3/20 0.37
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TMEM97 Q5BJF2 3/20 0.36
SIGMAR1 Q99720 3/20 0.36
TSHR P16473 1/20 0.35
DNM1 Q05193 1/20 0.34
RAD52 P43351 1/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL4979553 0.93 CYP1A2 (0.44) KDM4EALDH1A1CYP1A2FPR3FPR2
SCHEMBL4979942 0.89 MGLL (0.38) ALDH1A1SLC1A3SLC1A2SLC1A1HPGD
SCHEMBL3982025 0.88 MGLL (0.42) ALDH1A1FPR3FPR2SLC1A3SLC1A2
SCHEMBL4984400 0.88 MGLL (0.42) ALDH1A1FPR3FPR2SLC1A3SLC1A2
SCHEMBL3977113 0.88 MGLL (0.42) ALDH1A1FPR3FPR2SLC1A3SLC1A2
SCHEMBL4979475 0.88 MGLL (0.42) ALDH1A1FPR3FPR2SLC1A3SLC1A2
SCHEMBL4979173 0.86 NAMPT (0.40) CYP1A2L3MBTL1SLC1A3SLC1A2SLC1A1
SCHEMBL4980961 0.86 LMNA (0.42) KDM4EALDH1A1FPR3FPR2SLC1A3
SCHEMBL4983200 0.85 LMNA (0.43) KDM4EALDH1A1L3MBTL1FPR3FPR2
SCHEMBL4980233 0.84 SLC1A3 (0.40) KDM4ECYP1A2SLC1A3SLC1A2SLC1A1

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-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 KDM4E 1989/4885ALDH1A1 820/4885CYP1A2 555/4885

“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.