SCHEMBL7070830

SCHEMBL7070830

NC(=S)NCCC1=CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.63
▸ RAB9A P51151 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.58
▸ NPC1 O15118 5/20 0.58
▸ MAPT P10636 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ ALOX12 P18054 1/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HTT P42858 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ TAAR1 Q96RJ0 1/20 0.54
▸ ALOX15 P16050 1/20 0.53
▸ LMNA P02545 1/20 0.52
▸ EPHX1 P07099 2/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL10310250 0.83 PKM (0.55) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL8674157 0.83 TAAR1 (0.61) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL7783342 0.79 EPHX1 (0.73) RAB9AALDH1A1NPC1MAPTKDM4E
SCHEMBL13195715 0.77 ALDH1A1 (0.58) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL12717314 0.76 SMN1; SMN2 (0.64) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL14433963 0.75 ALDH1A1 (0.73) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL24197137 0.74 PKM (0.50) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL24196748 0.73 PKM (0.49) PKMRAB9AALDH1A1NPC1MAPT
SCHEMBL28226345 0.72 HPGD (0.72) RAB9AALDH1A1NPC1KDM4EHTT
SCHEMBL14521487 0.72 SMN1; SMN2 (0.68) ALDH1A1MAPTKDM4EALOX12SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030125331-A1 Cyclohexenyl-ethyl-thiourea compounds and use PARKER HUGHES INSTITUTE 2003-07-03 — — US disclosed
US-20030125331-A1 Cyclohexenyl-ethyl-thiourea compounds and use PARKER HUGHES INSTITUTE 2003-07-03 — — US disclosed
US-20030125331-A1 Cyclohexenyl-ethyl-thiourea compounds and use PARKER HUGHES INSTITUTE 2003-07-03 — — US disclosed
US-6469034-B1 TREATMENT OF HIV INFECTION, INCLUDING MUTANT, DRUG-SENSITIVE, DRUG- RESISTANT, AND MULTI-DRUG RESISTANT STRAINS PARKER HUGHES INSTITUTE 2002-10-22 — — US disclosed
US-6469034-B1 TREATMENT OF HIV INFECTION, INCLUDING MUTANT, DRUG-SENSITIVE, DRUG- RESISTANT, AND MULTI-DRUG RESISTANT STRAINS PARKER HUGHES INSTITUTE 2002-10-22 — — US disclosed
US-6469034-B1 TREATMENT OF HIV INFECTION, INCLUDING MUTANT, DRUG-SENSITIVE, DRUG- RESISTANT, AND MULTI-DRUG RESISTANT STRAINS PARKER HUGHES INSTITUTE 2002-10-22 — — US disclosed
EP-1194149-A1 CYCLOHEXENYL-ETHYL-THIOUREA COMPOUNDS AND USE Parker Hughes Institute (US) 2002-04-10 — — EP disclosed
WO-2000078315-A1 CYCLOHEXENYL-ETHYL-THIOUREA COMPOUNDS AND USE PARKER HUGHES INSTITUTE (US) 2000-12-28 — — 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-20030125331-A1 Cyclohexenyl-ethyl-thiourea compounds and use TPMT, DNTT, BHMT PKM 3893/4885RAB9A 3078/4885ALDH1A1 3359/4885

“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.

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