SCHEMBL6312404

SCHEMBL6312404

S=C(NCCN1CCCCC1)Nc1nccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 2/20 0.45
NFKB1 P19838 2/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL6963643 0.87 LMNA (0.54) ALDH1A1NPC1GAAHTTSMN1; SMN2
SCHEMBL6966188 0.87 HSD17B10 (0.48) ALDH1A1NPC1GAANFKB1HTT
SCHEMBL11319195 0.84 SMN1; SMN2 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL11306755 0.83 SMN1; SMN2 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9536296 0.79 HRH3 (0.46) ALDH1A1MAPTHRH1
SCHEMBL6965021 0.76 ACKR3 (0.44) ALDH1A1NPC1GAANFKB1HTT
SCHEMBL7130164 0.76 SMN1; SMN2 (0.68) ALDH1A1NPC1GAANFKB1HTT
SCHEMBL6277877 0.75 ALDH1A1 (0.57) ALDH1A1NPC1GAARAB9ASMN1; SMN2
SCHEMBL6955316 0.74 RAB9A (0.52) ALDH1A1NPC1GAANFKB1HTT
SCHEMBL6953393 0.72 SMN1; SMN2 (0.52) ALDH1A1NPC1GAANFKB1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960606-B2 Adamantyl Thiazole Thioureas PARKER HUGHES INSTITUTE (US) 2005-11-01 US disclosed
US-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2003-11-06 US disclosed
EP-1326852-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE Parker Hughes Institute (US) 2003-07-16 EP disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
WO-2002032889-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE PARKER HUGHES INSTITUTE (US) 2002-04-25 WO disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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 (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-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use TYMP, PNP, TPMT ACHE 2134/4885ALDH1A1 2972/4885NPC1 985/4885

“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.