SCHEMBL14005462

SCHEMBL14005462

O=C(NCCCCCCNC(=O)NC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.60
SLC6A3 Q01959 3/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CASR P41180 1/20 0.52
EPHX1 P07099 1/20 0.52

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
SCHEMBL11048686 0.91 CNR1 (0.70) CNR1SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL11052587 0.84 EPHX1 (0.74) CNR1SLC6A3SMN1; SMN2EPHX1
SCHEMBL15741900 0.83 FOLH1 (0.65) CNR1SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL16872738 0.82 CNR1 (0.49) CNR1SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL4094826 0.82 CNR1 (0.49) CNR1SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL11051084 0.82 CNR1 (0.83) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL14424476 0.82 EPHX1 (0.71) CNR1SLC6A3SMN1; SMN2EPHX1
SCHEMBL27929217 0.81 CNR1 (0.66) CNR1SLC6A3NPC1RAB9ASMN1; SMN2
SCHEMBL10939812 0.81 CNR1 (0.70) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL8243576 0.80 HDAC1 (0.70) CNR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080272062-A1 BROAD SPECTRUM ANTIMICROBIAL PURIFICATION DEVICES AND METHODS FOR PURIFYING FLUIDS WATER VISIONS INTERNATIONAL, INC. (US) 2008-11-06 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-20080272062-A1 BROAD SPECTRUM ANTIMICROBIAL PURIFICATION DEVICES AND METHODS FOR PURIFYING FLUIDS AMPD1, CLPP, SAMHD1 CNR1 4349/4885SLC6A3 3483/4885NPC1 3672/4885

“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.