SCHEMBL6306288

SCHEMBL6306288

C[C@](Oc1ccc2c(c1[N+](=O)[O-])CCCC2=O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
MAPT P10636 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HPD P32754 2/20 0.31
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
BRD4 O60885 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
ADRB3 P13945 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A4 P31645 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL6301321 0.85 LTB4R (0.32) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6700648 0.84 LTB4R (0.36) LTB4RLTB4R2BRD4ADRB2ADRB1
Bromide SCHEMBL6300825 0.84 LTB4R (0.35) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6300176 0.83 BRD4 (0.36) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6300888 0.82 SMN1; SMN2 (0.32) MAPTLTB4RLTB4R2
SCHEMBL6306132 0.82 LTB4R (0.47) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6300110 0.82 LTB4R (0.35) CYP1A2CYP2C19CYP2C9MEN1KMT2A
SCHEMBL6299367 0.82 LTB4R (0.35) CYP2C19LTB4RLTB4R2BRD4ADRB2
SCHEMBL6306125 0.82 LTB4R (0.47) LTB4RLTB4R2BRD4ADRB2ADRB1
SCHEMBL6299673 0.81 LTB4R (0.39) LTB4RLTB4R2BRD4ADRB2ADRB1

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-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP1A2 893/4885MAPT 3013/4885CYP2C19 2426/4885

“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.