SCHEMBL3977559

SCHEMBL3977559

CCCC(=O)Nc1ccc2c(c1)Cc1cc(N(S)C(N)=O)ccc1-2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
PTPRC P08575 2/20 0.45
AAK1 Q2M2I8 1/20 0.44
KMT2A Q03164 2/20 0.44
SLC1A3 P43003 4/20 0.43
SLC1A2 P43004 4/20 0.43
SLC1A1 P43005 4/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL3981682 0.85 RAB9A (0.45) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL4982495 0.84 RAB9A (0.47) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL4979290 0.83 RAB9A (0.43) RAB9ANPC1POLBKDM4EKMT2A
SCHEMBL4984089 0.83 RAB9A (0.43) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL4982830 0.81 RAB9A (0.42) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL3977553 0.80 RAB9A (0.71) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL3977949 0.79 CRHBP (0.39) RAB9ANPC1MAPTCYP1A2HTR2C
SCHEMBL3984737 0.79 RAB9A (0.73) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL4975661 0.79 CRHBP (0.41) RAB9ANPC1POLBKDM4EMAPT
SCHEMBL27754683 0.78 RAB9A (0.71) RAB9ANPC1POLBKDM4EMAPT

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
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 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 (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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 RAB9A 2434/4885NPC1 1677/4885POLB 3499/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885NPC1 1372/4885POLB 3373/4885

“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.