SCHEMBL13873646

SCHEMBL13873646

O=C(NCCc1ccncc1)N1CCC(c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.49
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
SPR P35270 1/20 0.48
EPHX2 P34913 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2J2 P51589 1/20 0.47
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
NAMPT P43490 4/20 0.43
EPHX1 P07099 1/20 0.43
MAPT P10636 1/20 0.43
STAT1 P42224 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13873641 0.92 EPHX2 (0.51) HSD11B1PRMT5WDR77SPREPHX2
SCHEMBL13873819 0.90 PRMT5 (0.48) HSD11B1PRMT5WDR77SPREPHX2
SCHEMBL13873672 0.89 EPHX2 (0.52) HSD11B1PRMT5WDR77EPHX2CYP2C9
SCHEMBL13873813 0.88 KMT2A (0.54) HSD11B1PRMT5WDR77NPC1RAB9A
SCHEMBL13873671 0.85 CYP2C9 (0.57) PRMT5WDR77EPHX2CYP2C9CYP2J2
SCHEMBL13873643 0.84 PRMT5 (0.49) HSD11B1PRMT5WDR77SPREPHX2
SCHEMBL13873640 0.83 MAPK1 (0.56) NPC1RAB9ASMN1; SMN2NAMPTEPHX1
SCHEMBL13873666 0.83 EPHX2 (0.64) PRMT5WDR77EPHX2CYP2C9CYP2J2
SCHEMBL13873645 0.82 ALDH1A1 (0.50) HSD11B1PRMT5WDR77SPREPHX2
SCHEMBL13873606 0.82 SPR (0.52) SPREPHX2CYP2C9HSD17B10NPC1

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
WO-2007106705-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-09-20 WO 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 HSD11B1 309/4885PRMT5 2065/4885WDR77 2019/4885

“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.