SCHEMBL15440511

SCHEMBL15440511

CN(C)CCCn1nc2c3c(c(N)ccc3c1=O)C(=O)c1ccccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ MITF O75030 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ DNMT1 P26358 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAD52 P43351 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ UHRF1 Q96T88 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TDP1 Q9NUW8 4/20 0.44
▸ TDP2 O95551 2/20 0.44
▸ ADRA1A P35348 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ ADRA1B P35368 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ TOP2A P11388 3/20 0.39
▸ ADORA2A P29274 3/20 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
SCHEMBL15440787 0.94 HTT (0.52) RXRANPC1MITFPOLBDNMT1
SCHEMBL13281764 0.81 NPC1 (0.52) RXRANPC1MITFPOLBDNMT1
SCHEMBL15440739 0.79 RAB9A (0.50) RXRANPC1MITFPOLBDNMT1
SCHEMBL15440849 0.79 HTT (0.44) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440619 0.78 HTT (0.56) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440528 0.77 SMN1; SMN2 (0.45) RXRANPC1MITFPOLBDNMT1
SCHEMBL13468463 0.77 SMN1; SMN2 (0.46) RXRANPC1MITFPOLBDNMT1
SCHEMBL15440804 0.76 HTT (0.67) RXRANPC1MITFPOLBDNMT1
SCHEMBL15440687 0.76 ADORA2A (0.41) NPC1MITFPOLBDNMT1HTT
SCHEMBL15449640 0.76 POLB (0.49) RXRANPC1MITFPOLBDNMT1

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 RXRA 4374/4885NPC1 1872/4885MITF 4186/4885

“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.

Send feedback