SCHEMBL22603988

SCHEMBL22603988

c1cc(CNC2CCCCC2)c2[nH]ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MPO P05164 2/20 0.47
▸ TPO P07202 2/20 0.47
▸ PABPC1 P11940 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HTR1A P08908 5/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL22603986 0.87 AHR (0.42) MPOTPOBRD4
SCHEMBL15672062 0.81 BRD4 (0.39) MPOTPOHTR1ABRD4
SCHEMBL23023182 0.78 HTR2A (0.46) MPOTPOBRD4
SCHEMBL13498251 0.77 HTT (0.44) HTTKMT2ALMNAPABPC1GLA
SCHEMBL10433983 0.75 KMT2A (0.57) HTTKMT2ALMNAPABPC1GLA
Hydrochloric Acid SCHEMBL10433976 0.74 KMT2A (0.56) HTTKMT2ALMNAPABPC1GLA
SCHEMBL15492796 0.73 HTT (0.55) HTTKMT2ALMNAPABPC1GLA
SCHEMBL1253321 0.73 HTR2A (0.47) BRD4
SCHEMBL9227710 0.71 KMT2A (0.52) HTTKMT2ALMNAPABPC1GLA
SCHEMBL11478614 0.70 HTR2A (0.51) —

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-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS UNIVERSITÄT ZU KÖLN (DE) 2020-10-29 — — 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-20200339502-A1 COMPOUNDS FOR USE IN THE ELIMINATION OF PLURIPOTENT STEM CELLS ALPG, RARB, RARG HTT 2654/4885KMT2A 2948/4885LMNA 3294/4885

“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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