SCHEMBL3973701

SCHEMBL3973701

CCNc1ccc2c(c1)Cc1cc(NC(N)=S)ccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 1/20 0.50
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.47
KMT2A Q03164 2/20 0.47
ADRA2A P08913 1/20 0.44
MAOA P21397 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2B P41595 1/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL3977311 0.89 RAB9A (0.51) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL4088965 0.87 CYP1A2 (0.62) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3977137 0.86 RAB9A (0.49) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3984275 0.83 CYP1A2 (0.54) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL13612898 0.82 CYP1A2 (0.54) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3977553 0.82 RAB9A (0.71) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3977995 0.81 CYP1A2 (0.52) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3984000 0.81 RAB9A (0.49) RAB9ACYP1A2CYP3A4POLBNPC1
SCHEMBL3978108 0.80 CYP1A2 (0.77) RAB9ACYP1A2CYP3A4NPC1KMT2A
SCHEMBL3980301 0.80 CYP1A2 (0.54) RAB9ACYP1A2CYP3A4POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US claimed
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
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (3 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 2434/4885CYP1A2 555/4885CYP3A4 409/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS RAB9A 510/4885CYP1A2 782/4885CYP3A4 756/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885CYP1A2 556/4885CYP3A4 393/4885

“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.