SCHEMBL3195461

SCHEMBL3195461

COc1ccc2c(c1)c1c(cnn1CC(=O)NCCCCNCC1CCCCC1)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
TP53 P04637 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MDM2 Q00987 2/20 0.41
MDM4 O15151 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL3185860 0.98 ATM (0.45) ATMTP53MAPTRAB9ANPC1
SCHEMBL3195522 0.95 MAPT (0.45) ATMTP53MAPTRAB9AMDM2
SCHEMBL3185759 0.95 MAPT (0.45) ATMTP53MAPTRAB9AMDM2
SCHEMBL3191696 0.95 MAPT (0.45) ATMTP53MAPTRAB9AMDM2
SCHEMBL3187031 0.88 ATM (0.47) ATMTP53MAPTRAB9ANPC1
SCHEMBL3195454 0.87 ATM (0.45) ATMTP53MAPTRAB9ANPC1
SCHEMBL3189925 0.86 ATM (0.45) ATMTP53MAPTRAB9ANPC1
SCHEMBL3185853 0.86 ATM (0.46) ATMTP53MAPTRAB9ANPC1
SCHEMBL3186469 0.86 RXFP1 (0.45) MAPTRAB9ANPC1KDM4EMDM2
SCHEMBL3195515 0.85 ATM (0.44) ATMTP53MAPTRAB9ANPC1

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 ATM 3561/4885TP53 1777/4885MAPT 2809/4885

“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.