SCHEMBL13281764

SCHEMBL13281764

CN(C)CCn1nc2c3c(c(Cl)ccc3c1=O)C(=O)c1ccccc1-2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.52
▸ MITF O75030 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ UHRF1 Q96T88 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TOP2A P11388 12/20 0.48
▸ ADRA1A P35348 2/20 0.46
▸ HRH1 P35367 2/20 0.46
▸ ADRA1B P35368 2/20 0.46
▸ RXRA P19793 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ TDP2 O95551 2/20 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 0.87 HTT (0.52) NPC1MITFPOLBDNMT1HTT
SCHEMBL13282046 0.85 TOP2A (0.45) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440739 0.85 RAB9A (0.50) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440850 0.83 HTT (0.41) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440804 0.82 HTT (0.67) NPC1MITFPOLBDNMT1HTT
SCHEMBL13281541 0.82 HTT (0.52) NPC1MITFPOLBDNMT1HTT
SCHEMBL15449640 0.81 POLB (0.49) NPC1MITFPOLBDNMT1HTT
SCHEMBL15440469 0.81 SMN1; SMN2 (0.47) NPC1MITFPOLBDNMT1HTT
SCHEMBL16945813 0.81 KMT2A (0.47) NPC1MITFPOLBDNMT1HTT
SCHEMBL13468463 0.81 SMN1; SMN2 (0.46) NPC1MITFPOLBDNMT1HTT

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 disclosed
EP-2697205-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-02-19 — — EP disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 — — US disclosed
WO-2012141604-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS INSTYTUT FARMACEUTYCZNY (PL) 2012-10-18 — — WO 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 NPC1 1872/4885MITF 4186/4885POLB 1452/4885

“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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