SCHEMBL7074249

SCHEMBL7074249

O=C(Nc1ccc(Cl)cn1)N(S)CCC1=CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTK2 Q05397 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
XBP1 P17861 1/20 0.40
TSHR P16473 2/20 0.40
F10 P00742 1/20 0.38
KLKB1 P03952 1/20 0.38

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
SCHEMBL7071783 0.87 TSHR (0.43) RAB9ANPC1ALDH1A1TDP1LMNA
SCHEMBL7077103 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2
SCHEMBL629770 0.75 MELK (0.37) ALDH1A1
SCHEMBL7074252 0.74 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL6805135 0.74 F10 (0.47) NPC1ALDH1A1L3MBTL1PTK2TDP1
SCHEMBL30733304 0.74 SMN1; SMN2 (0.69) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL5888519 0.73 MEN1 (0.60) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL6907093 0.69 RAB9A (0.47) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL21383961 0.65 EPHX1 (0.42) RAB9ANPC1ALDH1A1MAPTNFKB1
SCHEMBL5888148 0.65 MEN1 (0.47) RAB9ANPC1ALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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 RAB9A 3078/4885NPC1 404/4885ALDH1A1 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.