SCHEMBL22454178

SCHEMBL22454178

CNc1ccc(CNc2ccccn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.77
▸ FABP1 P07148 1/20 0.69
▸ FABP6 P51161 1/20 0.69
▸ KDM4E B2RXH2 1/20 0.66
▸ NPC1 O15118 2/20 0.65
▸ RAB9A P51151 2/20 0.65
▸ GAA P10253 1/20 0.65
▸ TP53 P04637 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ NOS1 P29475 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ NOS2 P35228 1/20 0.47
▸ GPR39 O43194 4/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ EPAS1 Q99814 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 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
SCHEMBL589266 0.88 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29351380 0.88 CXCR4 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL19868462 0.83 CXCR4 (0.82) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29580306 0.83 CXCR4 (0.82) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL10055030 0.82 CXCR4 (0.89) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL29664808 0.82 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL2230559 0.82 FABP1 (1.00) CXCR4FABP1FABP6KDM4ENPC1
SCHEMBL27585010 0.80 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Hydrochloric Acid SCHEMBL4696844 0.80 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1
Fluoride SCHEMBL28270594 0.80 FABP1 (0.96) CXCR4FABP1FABP6KDM4ENPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299262-A1 ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2020-09-24 — — 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-20200299262-A1 ARYL-SUBSTITUTED DIHYDROQUINOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRPF3, BRD4, BRDT CXCR4 2311/4885FABP1 2366/4885FABP6 2533/4885

“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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