SCHEMBL15440849

SCHEMBL15440849

Nc1ccc2c(=O)n(CCN3CCCCC3)nc3c2c1C(=O)c1ccccc1-3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA2A P29274 8/20 0.43
▸ ADORA1 P30542 7/20 0.43
▸ ADORA2B P29275 3/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.43
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ DNMT1 P26358 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL15440619 0.91 HTT (0.56) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL15440616 0.87 HTT (0.44) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL15440687 0.86 ADORA2A (0.41) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL12349851 0.81 ALDH1A1 (0.65) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL15440787 0.81 HTT (0.52) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL15440511 0.79 RXRA (0.48) HTTL3MBTL1ADORA2AADORA1HRH3
SCHEMBL15440865 0.78 HTT (0.56) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL13282046 0.70 TOP2A (0.45) HTTL3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL13281764 0.67 NPC1 (0.52) HTTL3MBTL1HRH3POLBKMT2A
SCHEMBL13281324 0.67 TOP2A (0.40) HTTADORA2AADORA1POLBKMT2A

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-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 HTT 3062/4885L3MBTL1 4332/4885ALDH1A1 246/4885

“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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