SCHEMBL6539205

SCHEMBL6539205

C=C(C(=O)c1ccccc1)c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
XBP1 P17861 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.37
CES2 O00748 4/20 0.35
CES1 P23141 4/20 0.35
EGFR P00533 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL6134293 0.78 LMNA (0.40) MAPTLMNANPSR1SMN1; SMN2XBP1
SCHEMBL21384038 0.77 POLB (0.39) ALDH1A1HPGDL3MBTL1TP53POLB
SCHEMBL27679545 0.71 ALDH1A1 (0.46) LMNASMN1; SMN2ALDH1A1HPGDTP53
SCHEMBL5147931 0.70 POLB (0.44) MAPTLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL21384009 0.70 MAPK1 (0.41) MAPTLMNAALDH1A1L3MBTL1TP53
SCHEMBL5150644 0.69 POLB (0.40) MAPTLMNAATMALDH1A1HPGD
SCHEMBL6133369 0.69 LMNA (0.39) MAPTLMNAALDH1A1HPGDL3MBTL1
SCHEMBL5388545 0.69 LMNA (0.39) MAPTLMNAALDH1A1HPGDL3MBTL1
SCHEMBL5152449 0.67 KDM4E (0.32) ALDH1A1HPGDTP53POLBKDM4E
SCHEMBL6923211 0.67 ALDH1A1 (0.38) MAPTLMNASMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 US disclosed
WO-2004022540-A2 PYRIDAZINONE AND PYRIDONE DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-03-18 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 MAPT 629/4885LMNA 1052/4885NPSR1 294/4885

“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.