SCHEMBL3193840

SCHEMBL3193840

O=C(Cn1ncc2c1-c1ccccc1CC2)NCCNCC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
MDM2 Q00987 1/20 0.44
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3188339 0.87 MEN1 (0.56) MAPTALDH1A1LMNATSHRNPSR1
SCHEMBL3193832 0.82 MAPT (0.45) MAPTALDH1A1LMNAHTTTSHR
SCHEMBL3602594 0.78 TSHR (0.57) MAPTALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL3191351 0.78 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MITFLMNA
SCHEMBL3185553 0.78 MEN1 (0.47) MAPTALDH1A1TSHRNPSR1POLB
SCHEMBL3195476 0.78 MEN1 (0.61) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL3185894 0.78 MEN1 (0.61) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL3186491 0.77 MAPT (0.42) MAPTALDH1A1TSHRNPSR1POLB
SCHEMBL3186798 0.76 TP53 (0.49) MAPTALDH1A1LMNAPOLBMEN1
SCHEMBL3188795 0.76 TP53 (0.49) MAPTALDH1A1LMNAPOLBMEN1

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 MAPT 2809/4885ALDH1A1 662/4885SMN1; SMN2 4228/4885

“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.