SCHEMBL3190791

SCHEMBL3190791

CN(CCNC(=O)Cn1ncc2c1-c1cc([N+](=O)[O-])ccc1OC2)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 4/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL3195471 0.88 POLB (0.60) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3185890 0.88 POLB (0.60) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3191364 0.87 POLB (0.50) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3185549 0.87 POLB (0.50) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3188790 0.86 POLB (0.49) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3178748 0.86 POLB (0.49) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3186788 0.86 POLB (0.49) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3188347 0.85 MAPT (0.58) POLBMEN1KMT2AMAPTTSHR
SCHEMBL3190796 0.85 MEN1 (0.44) POLBMEN1KMT2ACYP1A2CYP2C9
SCHEMBL3178197 0.85 TP53 (0.49) POLBMEN1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 POLB 4479/4885MEN1 4362/4885KMT2A 3838/4885

“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.