SCHEMBL3188383

SCHEMBL3188383

O=C(Cn1ncc2c1-c1ccccc1OC2)NCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 3/20 0.56
▸ MAPT P10636 6/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ TP53 P04637 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ RECQL P46063 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ PKM P14618 1/20 0.49

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
SCHEMBL3195570 0.88 TP53 (0.56) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3186400 0.85 TSHR (0.60) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3179914 0.84 TP53 (0.71) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3188506 0.84 MAPT (0.58) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3186204 0.84 TSHR (0.78) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3198511 0.84 MAPT (0.56) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3191805 0.84 TSHR (0.69) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3179798 0.83 MAPT (0.59) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3201387 0.83 TP53 (0.55) ALDH1A1KMT2ATSHRMAPTKDM4E
SCHEMBL3191319 0.80 TSHR (0.54) ALDH1A1KMT2ATSHRMAPTKDM4E

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 ALDH1A1 662/4885KMT2A 3838/4885TSHR 1277/4885

“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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