SCHEMBL15399669

SCHEMBL15399669

Ic1ccc(N2CC3(COC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
AKR1C3 P42330 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LTA4H P09960 1/20 0.36
TSHR P16473 2/20 0.35
MGLL Q99685 2/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN2 Q96KS0 2/20 0.34
LRRK2 Q5S007 2/20 0.33
FPR2 P25090 2/20 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
SCHEMBL15400298 0.85 LRRK2 (0.46) AKR1C3LTA4HTSHRUSP2CYP3A4
SCHEMBL15400504 0.82 AKR1C3 (0.44) AKR1C3LTA4HTSHRUSP2CYP3A4
SCHEMBL15400584 0.81 AKR1C3 (0.46) AKR1C3L3MBTL3L3MBTL1LTA4HTSHR
SCHEMBL17308203 0.80 HDAC4 (0.43) HDAC4AKR1C3L3MBTL3L3MBTL1USP2
SCHEMBL17289883 0.80 HDAC4 (0.47) HDAC4AKR1C3L3MBTL3L3MBTL1TSHR
SCHEMBL14320347 0.80 HDAC4 (0.47) HDAC4L3MBTL3L3MBTL1TSHRMGLL
SCHEMBL31175173 0.79 TSHR (0.55) HDAC4TSHRMGLLUSP2CYP3A4
SCHEMBL12499783 0.76 HDAC4 (0.43) HDAC4L3MBTL3L3MBTL1TSHRMGLL
SCHEMBL15399858 0.76 LTA4H (0.36) AKR1C3LTA4HTSHRMGLLUSP2
SCHEMBL15399660 0.76 LTA4H (0.43) AKR1C3LTA4HTSHRMGLLUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-8980934-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-03-17 US disclosed
US-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2014-01-02 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-20140005167-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K7, MAP3K1, MAP3K20 HDAC4 637/4885AKR1C3 2725/4885L3MBTL3 4443/4885

“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.