SCHEMBL7074252

SCHEMBL7074252

S=C(NCCC1=CCCCC1)Nc1ccc(Cl)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
ALDH1A1 P00352 9/20 0.58
RAB9A P51151 6/20 0.58
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.58
ALOX12 P18054 4/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.56
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
LTC4S Q16873 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 5/20 0.49
HPGD P15428 2/20 0.47

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
SCHEMBL30733304 1.00 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6838100 0.86 LTC4S (0.62) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6847881 0.83 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6950122 0.81 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL14433783 0.75 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL7074249 0.74 RAB9A (0.44) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL6963658 0.73 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL629769 0.73 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL30083706 0.72 LTC4S (0.56) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1
SCHEMBL2790373 0.72 KMT2A (0.55) SMN1; SMN2ALDH1A1RAB9AMAPTNPC1

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 SMN1; SMN2 4122/4885ALDH1A1 3359/4885RAB9A 3078/4885

“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.