SCHEMBL3185759

SCHEMBL3185759

COc1ccc2c(c1)c1c(cnn1CC(=O)NCCNCC1CCCCC1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
ATM Q13315 1/20 0.43
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
MDM2 Q00987 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3195522 1.00 MAPT (0.45) MAPTATMMITFALDH1A1LMNA
SCHEMBL3191696 1.00 MAPT (0.45) MAPTATMMITFALDH1A1LMNA
SCHEMBL3195461 0.95 ATM (0.45) MAPTATMMITFALDH1A1LMNA
SCHEMBL3185860 0.95 ATM (0.45) MAPTATMMITFALDH1A1LMNA
SCHEMBL3186469 0.90 RXFP1 (0.45) MAPTMITFALDH1A1LMNAHTT
SCHEMBL3189925 0.89 ATM (0.45) MAPTATMALDH1A1RAB9AMDM2
SCHEMBL3191114 0.89 TSHR (0.47) MAPTATMMITFALDH1A1LMNA
SCHEMBL3185790 0.88 MAPT (0.43) MAPTATMMITFALDH1A1LMNA
SCHEMBL3191670 0.86 MAPT (0.41) MAPTMITFALDH1A1LMNAHTT
SCHEMBL3187031 0.86 ATM (0.47) MAPTATMALDH1A1RAB9AMDM2

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 2809/4885ATM 3561/4885MITF 88/4885

“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.