SCHEMBL3754707

SCHEMBL3754707

Cc1cccc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(C)n5)nn4)n3)nn2)n1.O=C(O)c1cccc(-c2ccc(-c3cccc(-c4ccc(-c5cccc(C(=O)O)n5)nn4)n3)nn2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.55
CCR1 P32246 1/20 0.52
CCR8 P51685 1/20 0.52
KDM4E B2RXH2 5/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
ACMSD Q8TDX5 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
PADI1 Q9ULC6 1/20 0.44
PADI3 Q9ULW8 1/20 0.44
PADI4 Q9UM07 1/20 0.44
PADI2 Q9Y2J8 1/20 0.44
P2RX7 Q99572 1/20 0.42
LMNA P02545 1/20 0.41
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL2841904 0.92 ECE1 (0.63) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL3753307 0.90 KDM4E (0.61) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL1456359 0.88 KDM4E (0.64) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL143651 0.82 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL29355234 0.82 KDM4E (0.73) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL16715989 0.82 CCR1 (0.76) CCR1CCR8KDM4EALOX15TDP1
SCHEMBL3753156 0.82 CCR1 (0.76) CCR1CCR8KDM4EALOX15TDP1
SCHEMBL118409 0.80 KDM4E (0.70) ECE1CCR1CCR8KDM4EALOX15
SCHEMBL23069157 0.80 KDM4E (0.70) ECE1KDM4EALOX15TSHRACMSD
SCHEMBL29446940 0.80 KDM4E (0.70) ECE1KDM4EALOX15TSHRACMSD

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-9034873-B2 Pyridazine and pyrrole compounds, processes for obtaining them and uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-05-19 US disclosed
US-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-25 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-20100298562-A1 Pyridazine and Pyrrole Compounds, Processes For Obtaining Them and Uses PPOX, PNPO, PLPBP ECE1 1205/4885CCR1 3696/4885CCR8 3435/4885

“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.