SCHEMBL3200380

SCHEMBL3200380

O=C(Cn1ncc2[nH]c(=O)c3ccccc3c21)NCCNCC1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45
MDM2 Q00987 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CHRNA7 P36544 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.39
PARP1 P09874 2/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3200372 0.83 LMNA (0.45) LMNAMAPTKMT2APOLBNPSR1
SCHEMBL3198615 0.81 LMNA (0.49) LMNAMAPTSMN1; SMN2KMT2APOLB
SCHEMBL3198672 0.80 ATM (0.49) LMNAMAPTHTTMITFALDH1A1
SCHEMBL3203584 0.79 NPSR1 (0.64) MAPTHTTALDH1A1NPSR1ALOX15
SCHEMBL3193908 0.77 HDAC6 (0.41) LMNAMAPTHTTMITFALDH1A1
SCHEMBL3602594 0.76 TSHR (0.57) LMNAMAPTHTTMITFALDH1A1
SCHEMBL3591604 0.74 RAB9A (0.44) LMNAMAPTHTTMITFALDH1A1
SCHEMBL3597425 0.72 ALDH1A1 (0.43) LMNAMAPTHTTMITFALDH1A1
SCHEMBL3591259 0.72 MAPK1 (0.47) LMNARAB9ASMN1; SMN2POLBCHRNA7
SCHEMBL3193840 0.72 MAPT (0.44) LMNAMAPTHTTMITFALDH1A1

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 LMNA 4638/4885MAPT 2809/4885HTT 1553/4885

“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.