SCHEMBL2175493

SCHEMBL2175493

[O]c1ccc(-c2ccccn2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.57
KDM4E B2RXH2 6/20 0.52
LMNA P02545 3/20 0.52
CCR1 P32246 2/20 0.52
CCR5 P51681 2/20 0.52
CCR8 P51685 2/20 0.52
CYP1A2 P05177 2/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52
HIF1A Q16665 1/20 0.52
DOHH Q9BU89 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
CNR2 P34972 1/20 0.51
MAPT P10636 3/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
TP53 P04637 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 2/20 0.45

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
SCHEMBL1068961 0.83 KDM4E (0.64) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL21494145 0.83 KDM4E (0.64) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL30989132 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL30989133 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL1566968 0.79 KDM4E (0.72) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL22419985 0.79 CYP2A6 (0.62) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL4480460 0.79 CYP2A6 (0.57) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL1722976 0.78 CYP2A6 (0.55) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL14685049 0.78 CYP2A6 (0.55) CYP2A6KDM4ELMNACCR1CCR5
SCHEMBL2217761 0.78 CYP2A6 (0.55) CYP2A6KDM4ELMNACCR1CCR5

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
US-7973056-B2 Triazole derivative or salt thereof FUJIFILM FINECHEMICALS CO., LTD (JP) 2011-07-05 US disclosed
US-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF FUJIFILM FINECHEMICALS CO., LTD. (JP) 2009-12-03 US disclosed
EP-2128155-A1 Triazole derivative or salt thereof Fujifilm Finechemicals Co. Ltd. (JP) 2009-12-02 EP 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-20090299071-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HDAC3, JAK2, STAT3 CYP2A6 2317/4885KDM4E 2584/4885LMNA 4313/4885

“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.