SCHEMBL15440713

SCHEMBL15440713

CN(C)CCNc1ccc2c(=O)n(CCO)nc3c2c1C(=O)c1ccccc1-3

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 5/20 0.45
▸ MALT1 Q9UDY8 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ RAD52 P43351 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MITF O75030 1/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ UHRF1 Q96T88 1/20 0.44
▸ TOP2A P11388 5/20 0.42
▸ TOP1 P11387 1/20 0.42
▸ BRCA1 P38398 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TOP2B Q02880 1/20 0.41
▸ KAT2B Q92831 2/20 0.40
▸ MEN1 O00255 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
SCHEMBL15449640 0.87 POLB (0.49) EHMT2MALT1SMN1; SMN2POLBHTT
SCHEMBL15440705 0.87 POLB (0.57) EHMT2MALT1SMN1; SMN2POLBHTT
SCHEMBL13468463 0.86 SMN1; SMN2 (0.46) EHMT2MALT1SMN1; SMN2POLBHTT
SCHEMBL13468116 0.86 SMN1; SMN2 (0.46) EHMT2MALT1SMN1; SMN2POLBHTT
SCHEMBL15440528 0.85 SMN1; SMN2 (0.45) EHMT2SMN1; SMN2POLBHTTRAD52
SCHEMBL15440679 0.85 POLB (0.47) EHMT2MALT1SMN1; SMN2POLBHTT
SCHEMBL13281984 0.84 SMN1; SMN2 (0.42) EHMT2SMN1; SMN2POLBHTTRAD52
SCHEMBL15440739 0.83 RAB9A (0.50) EHMT2SMN1; SMN2POLBHTTRAD52
SCHEMBL15440706 0.83 KMT2A (0.46) EHMT2SMN1; SMN2POLBHTTRAD52
SCHEMBL15440469 0.82 SMN1; SMN2 (0.47) SMN1; SMN2POLBHTTRAD52KMT2A

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-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 — — US claimed
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 — — US disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 — — 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-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS ABCC1, ABCC3, ABCB1 EHMT2 4509/4885MALT1 3286/4885SMN1; SMN2 4813/4885

“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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