SCHEMBL3179914

SCHEMBL3179914

O=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCN(c2ccccc2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.71
▸ HTT P42858 2/20 0.57
▸ POLB P06746 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MAPT P10636 5/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL3190868 0.95 TP53 (0.69) TP53HTTPOLBMAPK1HSD17B10
SCHEMBL3195570 0.85 TP53 (0.56) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3188383 0.84 ALDH1A1 (0.58) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3178144 0.83 TP53 (0.60) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3186400 0.82 TSHR (0.60) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3188506 0.81 MAPT (0.58) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3191805 0.81 TSHR (0.69) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3179798 0.81 MAPT (0.59) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3201387 0.80 TP53 (0.55) TP53POLBMAPK1HSD17B10LMNA
SCHEMBL3185910 0.79 MAPT (0.63) TP53LMNAMAPTTSHRKDM4E

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 TP53 1777/4885HTT 1553/4885POLB 4479/4885

“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.

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