SCHEMBL3190953

SCHEMBL3190953

CN(CCNC(=O)Cn1ncc2c1-c1cc(Cl)ccc1OC2)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TP53 P04637 3/20 0.47
▸ THRB P10828 2/20 0.47
▸ GAA P10253 1/20 0.47

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
SCHEMBL3185831 0.86 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3191364 0.83 POLB (0.50) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3178173 0.80 POLB (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL13417542 0.80 MEN1 (0.63) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3189993 0.80 KMT2A (0.63) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL3189962 0.79 MEN1 (0.68) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL3198887 0.79 MAPT (0.54) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3185819 0.78 MAPT (0.53) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3200469 0.77 MEN1 (0.67) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3195525 0.76 MEN1 (0.66) ALDH1A1MEN1KMT2ACYP1A2CYP2C9

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 ALDH1A1 662/4885MAPT 2809/4885KDM4E 4801/4885

“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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