SCHEMBL2163256

SCHEMBL2163256

O=C(NC(=S)N1CCc2ccccc21)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 1.00
LMNA P02545 3/20 1.00
ALDH1A1 P00352 13/20 0.85
KMT2A Q03164 7/20 0.85
MAPT P10636 6/20 0.85
MEN1 O00255 5/20 0.85
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
HPGD P15428 2/20 0.69
POLB P06746 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
USP2 O75604 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
RECQL P46063 1/20 0.63
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL16209962 0.92 ALDH1A1 (1.00) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL11637641 0.84 LMNA (0.72) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL12401341 0.82 ALDH1A1 (0.72) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL2163031 0.78 LMNA (0.63) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL2162974 0.78 LMNA (0.63) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL5783412 0.77 HPGD (1.00) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL31556814 0.77 HPGD (1.00) GAALMNAALDH1A1KMT2AMEN1
SCHEMBL5244645 0.76 POLB (0.92) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL2163718 0.75 GAA (0.59) GAALMNAALDH1A1KMT2AMAPT
SCHEMBL159415 0.74 SIGMAR1 (0.63) GAALMNAALDH1A1KMT2AMAPT

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-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
US-7985763-B2 using an thiourea compound or carbonyl thiourea compound; therapy for drug resistant infections NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2011-07-26 US disclosed
WO-2008124300-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 WO disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 US disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 US disclosed
US-20080255189-A1 HEPATITIS C VIRUS INHIBITORS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-10-16 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-20080255189-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, ZC3HAV1, ZC3HAV1L GAA 1481/4885LMNA 1064/4885ALDH1A1 4004/4885

“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.