SCHEMBL4737546

SCHEMBL4737546

COC(=O)C1CCCN1N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 2/20 0.43
XPNPEP1 Q9NQW7 1/20 0.43
FKBP1A P62942 3/20 0.42
MMP2 P08253 2/20 0.40
ANPEP P15144 2/20 0.40
TP53 P04637 1/20 0.38
ALOX5 P09917 1/20 0.37
LTA4H P09960 1/20 0.37

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
SCHEMBL8199687 1.00 POLB (0.47) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL18884425 0.94 SMN1; SMN2 (0.49) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL16067903 0.94 SMN1; SMN2 (0.49) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL17560404 0.85 SMN1; SMN2 (0.40) POLBSMN1; SMN2ALDH1A1MAPTPEPD
Hydrochloric Acid SCHEMBL17560460 0.84 SMN1; SMN2 (0.39) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL22978787 0.80 ALDH1A1 (0.45) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL3898404 0.79 HSD17B10 (0.41) SMN1; SMN2ALDH1A1MAPT
SCHEMBL6908217 0.79 MAPT (0.38) POLBSMN1; SMN2ALDH1A1MAPTPEPD
SCHEMBL7304578 0.79 FKBP1A (0.48) SMN1; SMN2ALDH1A1MAPTFKBP1A
SCHEMBL23999544 0.79 HSD17B10 (0.41) SMN1; SMN2ALDH1A1MAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 US disclosed
EP-3192511-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-07-14 EP disclosed
WO-2020245044-A1 1-PHENYL-5-AZINYL PYRAZOLYL-3-OXYALKYL ACIDS AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER AKTIENGESELLSCHAFT (DE) 2020-12-10 WO disclosed
WO-2020058062-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 WO disclosed
EP-3192511-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 2017-07-19 EP disclosed
US-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2008-09-04 US disclosed
US-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2008-09-04 US disclosed
WO-2008073987-A1 SATURATED FUSED [1,2-B] PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
WO-2008073987-A1 SATURATED FUSED [1,2-B] PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. (US) 2008-06-19 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 (2 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-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, ZC3HAV1, NR1H4 POLB 601/4885SMN1; SMN2 2016/4885ALDH1A1 1770/4885
US-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES DDT, CBR3, CAT POLB 2694/4885SMN1; SMN2 3601/4885ALDH1A1 118/4885

“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.