SCHEMBL5058334

SCHEMBL5058334

NC(=S)Nc1cccc(OCCCCCNC(=S)Nc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
LMNA P02545 9/20 0.49
MAPT P10636 7/20 0.49
KMT2A Q03164 5/20 0.49
HTT P42858 4/20 0.49
MEN1 O00255 3/20 0.49
ALOX12 P18054 2/20 0.49
ALPL P05186 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.48
GAA P10253 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 2/20 0.48
XBP1 P17861 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL5051502 1.00 ALDH1A1 (0.49) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5055056 0.94 ALDH1A1 (0.59) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5054985 0.93 KMT2A (0.47) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL12797211 0.92 MAPT (0.49) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5051524 0.92 MAPT (0.49) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5051501 0.91 CYP1A2 (0.45) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5054995 0.91 NPC1 (0.47) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5054968 0.91 CYP1A2 (0.45) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5053735 0.91 CYP1A2 (0.45) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL5053666 0.91 SMN1; SMN2 (0.49) ALDH1A1LMNAMAPTKMT2AHTT

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 ALDH1A1 684/4885LMNA 4472/4885MAPT 4495/4885

“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.