SCHEMBL16217241

SCHEMBL16217241

Cc1cc(NNc2cc(/N=N/c3ccccc3)c(N)cc2N)ccc1/N=N/c1cccc(N(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 9/20 0.38
▸ KMT2A Q03164 9/20 0.38
▸ MAPK1 P28482 8/20 0.38
▸ MEN1 O00255 8/20 0.38
▸ NPC1 O15118 6/20 0.38
▸ MAPT P10636 6/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TSHR P16473 4/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ USP2 O75604 2/20 0.35

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
SCHEMBL8948318 0.84 TDP1 (0.48) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL14159482 0.78 MAPK1 (0.53) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL8948433 0.77 KMT2A (0.54) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL30569593 0.72 TDP1 (0.61) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL1614771 0.72 TDP1 (0.61) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL1614770 0.72 TDP1 (0.61) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL12471025 0.70 TDP1 (0.65) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL4411410 0.70 ALDH1A1 (0.67) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL11036686 0.69 MAPK1 (0.68) TDP1KMT2AMAPK1MEN1NPC1
SCHEMBL31215182 0.66 TRPA1 (0.47) TDP1KMT2AMAPK1MEN1NPC1

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-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-11-06 — — US disclosed
US-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF LIVING PROOF, INC. 2014-11-06 — — 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-20140326269-A1 COLORING AGENTS AND METHODS OF USE THEREOF MPO, HLA-C, ADH7 TDP1 841/4885KMT2A 1622/4885MAPK1 3478/4885

“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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