SCHEMBL5058398

SCHEMBL5058398

NC(=S)Nc1cccc(OCCCCCCCNC(=S)Nc2ccc(Br)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
HTT P42858 3/20 0.43
CYP3A4 P08684 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 5/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
QPCT Q16769 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 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
SCHEMBL5054968 1.00 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9RAB9ANPC1
SCHEMBL5051501 1.00 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9RAB9ANPC1
SCHEMBL5053735 1.00 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9RAB9ANPC1
SCHEMBL5060776 0.92 IDO1 (0.47) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL5051502 0.91 ALDH1A1 (0.49) CYP1A2CYP2C19CYP2C9RAB9ANPC1
SCHEMBL5058334 0.91 ALDH1A1 (0.49) CYP1A2CYP2C19CYP2C9RAB9ANPC1
SCHEMBL5051524 0.90 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL12797211 0.90 MAPT (0.49) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL5053666 0.89 SMN1; SMN2 (0.49) MAPTSMN1; SMN2KMT2AMEN1HTT
SCHEMBL5053688 0.89 SMN1; SMN2 (0.49) MAPTSMN1; SMN2KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
US-7897764-B2 Thiourea derivatives NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-03-01 US disclosed
WO-2008154091-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-18 WO disclosed
US-20080306090-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-11 US disclosed
US-20080306090-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-11 US disclosed
US-20080306090-A1 THIOUREA DERIVATIVES NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-12-11 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-20080306090-A1 THIOUREA DERIVATIVES EIF2AK2, IFNAR1, TPMT CYP1A2 423/4885CYP2C19 1381/4885CYP2C9 643/4885

“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.