SCHEMBL3186138

SCHEMBL3186138

COc1ccc2nc(OC)c3cnn(CC(=O)NCCNCC4CCCCC4)c3c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
RXFP1 Q9HBX9 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.39
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
AVPR1B P47901 1/20 0.37

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
SCHEMBL3191234 0.92 TSHR (0.44) MAPTRXFP1TP53POLBALDH1A1
SCHEMBL3191182 0.89 MAPT (0.40) MAPTRXFP1TP53POLBLMNA
SCHEMBL3186132 0.85 MAPT (0.43) MAPTRXFP1TP53ALDH1A1LMNA
SCHEMBL3178406 0.83 MAPT (0.59) MAPTRXFP1TP53POLBALDH1A1
SCHEMBL3186469 0.83 RXFP1 (0.45) MAPTRXFP1MITFALDH1A1LMNA
SCHEMBL3193908 0.83 HDAC6 (0.41) MAPTTP53MITFALDH1A1LMNA
SCHEMBL3195522 0.83 MAPT (0.45) MAPTRXFP1TP53MITFALDH1A1
SCHEMBL3191696 0.83 MAPT (0.45) MAPTRXFP1TP53MITFALDH1A1
SCHEMBL3185759 0.83 MAPT (0.45) MAPTRXFP1TP53MITFALDH1A1
SCHEMBL14397670 0.80 MAPT (0.42) MAPTRXFP1TP53POLBALDH1A1

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-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

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 MAPT 2809/4885RXFP1 1115/4885TP53 1777/4885

“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.