SCHEMBL3178754

SCHEMBL3178754

COc1ccc2c(c1)-c1c(cnn1CC(=O)NCCNCC1CCCCC1)CO2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
THRB P10828 1/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPT P10636 5/20 0.46
PKM P14618 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3188795 1.00 TP53 (0.49) TP53THRBPOLBMEN1KMT2A
SCHEMBL3186798 1.00 TP53 (0.49) TP53THRBPOLBMEN1KMT2A
SCHEMBL3178204 0.99 TP53 (0.50) TP53THRBPOLBMEN1KMT2A
SCHEMBL3195476 0.89 MEN1 (0.61) TP53THRBPOLBMEN1KMT2A
SCHEMBL3185894 0.89 MEN1 (0.61) TP53THRBPOLBMEN1KMT2A
SCHEMBL3185553 0.87 MEN1 (0.47) TP53THRBPOLBMEN1KMT2A
SCHEMBL3191351 0.87 MAPT (0.51) TP53THRBPOLBMEN1KMT2A
SCHEMBL3196636 0.86 POLB (0.49) TP53THRBPOLBMEN1KMT2A
SCHEMBL3178748 0.85 POLB (0.49) TP53THRBPOLBMEN1KMT2A
SCHEMBL3186788 0.85 POLB (0.49) TP53THRBPOLBMEN1KMT2A

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 TP53 1777/4885THRB 1690/4885POLB 4479/4885

“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.