SCHEMBL13458076

SCHEMBL13458076

c1ccc(-c2ccc(-c3ccc(-c4ccccn4)cc3)cc2)nc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
LMNA P02545 4/20 0.68
CYP1A2 P05177 2/20 0.68
CCR1 P32246 2/20 0.68
CCR5 P51681 2/20 0.68
CCR8 P51685 2/20 0.68
POLB P06746 1/20 0.68
METAP1 P53582 1/20 0.68
BLM P54132 1/20 0.68
HIF1A Q16665 1/20 0.68
DOHH Q9BU89 1/20 0.68
P4HTM Q9NXG6 1/20 0.68
CYP2A6 P11509 1/20 0.58
CYP2D6 P10635 1/20 0.57
CYP19A1 P11511 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
TP53 P04637 4/20 0.56

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
SCHEMBL29984274 1.00 KDM4E (0.68) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL30989132 0.97 KDM4E (0.72) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL1566968 0.97 KDM4E (0.72) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL30989133 0.97 KDM4E (0.72) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL29730352 0.95 KDM4E (0.62) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL21173034 0.95 KDM4E (0.62) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL750061 0.95 KDM4E (0.62) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL14293722 0.93 KDM4E (0.59) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL17951533 0.93 KDM4E (0.59) KDM4ELMNACYP1A2CCR1CCR5
SCHEMBL27635174 0.93 KDM4E (0.59) KDM4ELMNACYP1A2CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168576-A2 New utilities of tricyclic compounds Shionogi & Co., Ltd. (JP) 2010-03-31 EP disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 US disclosed
US-20080318958-A1 New utilities of tricyclic compounds ISHIZUKA NATSUKI 2008-12-25 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-20080318958-A1 New utilities of tricyclic compounds APOB, PON1, APOL1 KDM4E 4138/4885LMNA 920/4885CYP1A2 153/4885

“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.