SCHEMBL4829368

SCHEMBL4829368

COCCOc1nc(C)cc(OCC(F)(F)F)c1NC(=O)CN1CCN(CCO)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
LMNA P02545 1/20 0.41
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
TGFBR1 P36897 1/20 0.36
KCNA5 P22460 4/20 0.36
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35

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
SCHEMBL4506878 0.93 KDM4E (0.42) KDM4ELMNAHSD17B10HPGDALDH1A1
SCHEMBL6727040 0.83 LMNA (0.44) KDM4ELMNAHSD17B10HPGDALDH1A1
SCHEMBL14503005 0.82 ALOX15 (0.50) KDM4ELMNAHSD17B10HPGDALDH1A1
SCHEMBL1704603 0.81 SOAT1 (0.58) LMNAALDH1A1TSHRSOAT1
SCHEMBL1705138 0.81 CYP1A2 (0.38) KDM4EHPGDALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL6474056 0.81 SOAT1 (0.58) LMNAALDH1A1TSHRSOAT1
SCHEMBL4514770 0.79 LMNA (0.54) KDM4ELMNAHSD17B10HPGDALDH1A1
SCHEMBL4532301 0.74 LMNA (0.44) KDM4ELMNAHSD17B10HPGDALDH1A1
SCHEMBL1704605 0.74 SOAT1 (0.51) KDM4EHSD17B10HPGDALDH1A1TSHR
Hydrochloric Acid SCHEMBL1704617 0.73 SOAT1 (0.51) KDM4EHSD17B10HPGDALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
US-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2006-12-28 US disclosed
EP-1627875-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF Kowa Co., Ltd. (JP) 2006-02-22 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-20060293519-A1 Method for producing cyclic diamine derivative or salt thereof NNT, APRT, SAT1 KDM4E 795/4885LMNA 4263/4885HSD17B10 1273/4885

“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.