SCHEMBL3038367

SCHEMBL3038367

CNCCNC(=O)c1cc[c]cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 4/20 0.41
NAAA Q02083 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 2/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
MAOB P27338 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 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
SCHEMBL3034216 0.89 ALDH1A1 (0.50) POLBHDAC1HDAC6ALDH1A1RAB9A
SCHEMBL2477903 0.83 KDM4E (0.56) LMNAPOLBALDH1A1RAB9ANPC1
SCHEMBL1754794 0.81 LMNA (0.70) LMNAPOLBHDAC4HDAC1HDAC6
SCHEMBL1416276 0.81 POLB (0.51) LMNAPOLBHDAC4HDAC6ALDH1A1
SCHEMBL3030243 0.81 LMNA (0.44) LMNAPOLBALDH1A1RAB9ANPC1
SCHEMBL6972889 0.80 LMNA (0.42) LMNAPOLBHDAC1HDAC6ALDH1A1
SCHEMBL4158767 0.80 SMN1; SMN2 (0.62) ALDH1A1RAB9ANPC1NAAAMAPT
SCHEMBL1416011 0.80 HPGD (0.61) ALDH1A1RAB9ANPC1MAPTMAPK1
SCHEMBL1107141 0.79 LMNA (0.73) LMNAPOLBHDAC1HDAC6ALDH1A1
SCHEMBL3030613 0.79 MAOB (0.62) LMNAPOLBALDH1A1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150539-B1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2013-12-18 EP disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
CN-101679303-B Pyridazinone derivatives MERCK PATENT GMBH 2012-05-09 CN disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 US disclosed
CN-101679303-A pyridazinone derivatives MERCK PATENT GMBH 2010-03-24 CN disclosed
EP-2150539-A1 PYRIDAZINONE DERIVATIVES Merck Patent GmbH (DE) 2010-02-10 EP disclosed
WO-2008145243-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GMBH (DE) 2008-12-04 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET LMNA 2650/4885POLB 3036/4885HDAC4 3315/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF LMNA 1993/4885POLB 1912/4885HDAC4 3638/4885

“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.