SCHEMBL7071783

SCHEMBL7071783

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
GRK2 P25098 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7074249 0.87 RAB9A (0.44) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL7077103 0.84 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5888403 0.77 TSHR (0.46) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5888519 0.77 MEN1 (0.60) TSHRRAB9ANPC1ALDH1A1MEN1
SCHEMBL7225023 0.77 TSHR (0.49) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6230678 0.74 TSHR (0.48) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6838100 0.74 LTC4S (0.62) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL6838097 0.74 ALDH1A1 (0.48) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6902517 0.73 TSHR (0.41) TSHRRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL6907335 0.72 RAB9A (0.47) TSHRRAB9ANPC1ALDH1A1SMN1; 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 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 TSHR 1584/4885RAB9A 3078/4885NPC1 404/4885

“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.