SCHEMBL3977949

SCHEMBL3977949

CCCN(CCC)c1ccc2c(c1)Cc1cc(N(S)C(N)=O)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TLR9 Q9NR96 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 1/20 0.36
RAD52 P43351 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
HIF1A Q16665 1/20 0.32
HSD17B1 P14061 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
SCHEMBL4980954 0.92 KDM4E (0.39) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL4975661 0.89 CRHBP (0.41) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL4982830 0.86 RAB9A (0.42) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL3981682 0.83 RAB9A (0.45) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL4981458 0.82 RAB9A (0.40) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL4980991 0.82 ALOX5 (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4979290 0.81 RAB9A (0.43) CRHBPCRHR2TLR9CYP1A2RAB9A
SCHEMBL4982495 0.80 RAB9A (0.47) TLR9CYP1A2HSD17B10RAB9ANPC1
SCHEMBL3982917 0.80 CRHBP (0.42) CRHBPCRHR2TLR9CYP1A2CYP3A4
SCHEMBL3977559 0.79 RAB9A (0.62) CYP1A2HSD17B10RAB9ANPC1MAPT

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 CRHBP 4423/4885CRHR2 4789/4885TLR9 3090/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 CRHBP 4483/4885CRHR2 4821/4885TLR9 3271/4885

“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.