SCHEMBL3977801

SCHEMBL3977801

CN(C)CCNC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.52
ACHE P22303 1/20 0.50
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL3983507 0.93 ALDH1A1 (0.52) LMNAPOLBACHECYP1A2CYP3A4
SCHEMBL3984516 0.88 RAB9A (0.58) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3981627 0.86 CYP1A2 (0.63) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4261173 0.84 CYP1A2 (0.53) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3977078 0.84 CYP1A2 (0.54) LMNAPOLBCYP1A2CYP3A4CYP2C9
SCHEMBL3982022 0.83 CYP1A2 (0.52) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3977111 0.82 CYP1A2 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4265186 0.82 CYP1A2 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3980293 0.82 CYP1A2 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3977663 0.81 GAA (0.53) LMNAPOLBCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
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-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US 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
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 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 LMNA 4873/4885POLB 3499/4885ACHE 3700/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 LMNA 4858/4885POLB 3373/4885ACHE 3778/4885

“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.