SCHEMBL7078042

SCHEMBL7078042

S=C(Nc1ccc(Br)cn1)NC1C2CC3CC(C2)CC1C3

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.52
ALDH1A1 P00352 3/20 0.51
LTC4S Q16873 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6952604 0.73 ALDH1A1 (0.58) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL6952602 0.73 ALDH1A1 (0.58) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL6905605 0.70 ALDH1A1 (0.48) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL6905601 0.70 ALDH1A1 (0.48) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL3359589 0.69 EPHX2 (1.00) EPHX2ALDH1A1KMT2ARAB9ANPC1
(+)-Tranylcypromine SCHEMBL9579777 0.69 ALDH1A1 (0.52) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL856249 0.68 MAPT (0.64) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9
SCHEMBL7078039 0.68 ALDH1A1 (0.72) ALDH1A1KMT2ARAB9ANPC1POLB
SCHEMBL3073976 0.68 EPHX2 (1.00) EPHX2KMT2ANPSR1
SCHEMBL14571398 0.68 ALDH1A1 (0.58) ALDH1A1LTC4SCYP1A2CYP2D6CYP2C9

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 2 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-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

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 EPHX2 1139/4885ALDH1A1 3359/4885LTC4S 1637/4885

“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.