SCHEMBL3193908

SCHEMBL3193908

COc1nc2cnn(CC(=O)NCCNCC3CCCCC3)c2c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
MAPT P10636 4/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ATM Q13315 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CHRNA7 P36544 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL3193896 0.84 TP53 (0.43) MAPTLMNASMN1; SMN2NPSR1ATM
SCHEMBL3191234 0.83 TSHR (0.44) MAPTALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3186138 0.83 MAPT (0.43) MAPTMITFALDH1A1LMNAHTT
SCHEMBL3198672 0.80 ATM (0.49) HDAC6MAPTMITFALDH1A1LMNA
SCHEMBL3200380 0.77 LMNA (0.45) HDAC6MAPTMITFALDH1A1LMNA
SCHEMBL3602594 0.76 TSHR (0.57) MAPTMITFALDH1A1LMNAHTT
SCHEMBL3203584 0.75 NPSR1 (0.64) MAPTALDH1A1HTTNPSR1GAA
SCHEMBL3191182 0.73 MAPT (0.40) MAPTLMNATP53THRB
SCHEMBL3178406 0.72 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL3597425 0.72 ALDH1A1 (0.43) HDAC6MAPTMITFALDH1A1LMNA

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 HDAC6 1799/4885MAPT 2809/4885MITF 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.