SCHEMBL6711208

SCHEMBL6711208

O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
SIRT6 Q8N6T7 1/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPKAPK2 P49137 4/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.38
HTR1A P08908 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6709642 0.74 HTR6 (0.44) L3MBTL1
SCHEMBL6711206 0.71 ADRB1 (0.43) ADRB1SIRT6ALDH1A1MEN1KMT2A
SCHEMBL6714778 0.69 KDM1A (0.41) ADRB1ALDH1A1ACHEL3MBTL1USP2
SCHEMBL7673104 0.68 POLB (0.41) ALDH1A1MEN1KMT2APOLBCRHBP
SCHEMBL336262 0.66 SIRT6 (1.00) ADRB1SIRT6ALDH1A1POLBHTR1A
SCHEMBL7526992 0.66 SIRT6 (1.00) ADRB1SIRT6ALDH1A1POLBHTR1A
SCHEMBL6710853 0.65 CNR2 (0.52) ALDH1A1KMT2AL3MBTL1
Isophthalic Acid SCHEMBL27478330 0.65 ADRB1 (0.69) ADRB1SIRT6ALDH1A1MEN1KMT2A
SCHEMBL6151805 0.64 SIRT6 (0.96) ADRB1SIRT6ALDH1A1POLBHTR1A
SCHEMBL1496058 0.64 SIRT6 (0.96) ADRB1SIRT6ALDH1A1POLBHTR1A

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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same PIERRE FABRE MEDICAMENT (FR) 2004-05-13 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-20040092524-A1 Novel aminophenyl piperazine or aminophenyl piperidine derivatives inhibiting prenyl transferase proteins and method for preparing same CBR3, CBR1, HCCS ADRB1 939/4885SIRT6 121/4885ALDH1A1 3031/4885

“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.