SCHEMBL15440619

SCHEMBL15440619

Nc1ccc2c(=O)n(CCN3CCOCC3)nc3c2c1C(=O)c1ccccc1-3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ KDM4E B2RXH2 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TERT O14746 2/20 0.42
▸ MALT1 Q9UDY8 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ADORA2A P29274 4/20 0.40
▸ ADORA1 P30542 4/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ POLB P06746 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
SCHEMBL15440849 0.91 HTT (0.44) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15440865 0.88 HTT (0.56) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15440787 0.80 HTT (0.52) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15440687 0.79 ADORA2A (0.41) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL15440511 0.78 RXRA (0.48) HTTL3MBTL1KMT2AADORA2AADORA1
SCHEMBL15440616 0.78 HTT (0.44) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL12349851 0.71 ALDH1A1 (0.65) HTTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL13281764 0.67 NPC1 (0.52) HTTL3MBTL1KMT2ANPC1MITF
SCHEMBL15440739 0.65 RAB9A (0.50) HTTL3MBTL1KMT2ANPC1MITF
SCHEMBL20944829 0.65 TDP1 (0.64) —

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 4 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-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 — — 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 HTT 3062/4885L3MBTL1 4332/4885KDM4E 4659/4885

“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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