SCHEMBL3269250

SCHEMBL3269250

Cc1ccc2[nH]c(C(C)C)nc2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
PARP1 P09874 3/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
GAA P10253 4/20 0.33
MGAM O43451 3/20 0.33
SI P14410 3/20 0.33
MGAM2 Q2M2H8 3/20 0.33
CYP1A2 P05177 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL6757190 0.82 CBFB (0.46) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL18930241 0.79 HSD17B10 (0.37) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL12402449 0.79 TSHR (0.38) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL3265280 0.78 HTT (0.47) HSD17B10KDM4EALDH1A1HPGDPARP1
SCHEMBL17300675 0.76 HSD17B10 (0.37) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL4125230 0.75 MGAM (0.50) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL1272228 0.74 PSMB8 (0.51) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL18930378 0.74 HSD17B10 (0.41) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL14491776 0.72 HTT (0.46) HSD17B10KDM4ELMNAALDH1A1HPGD
SCHEMBL15579814 0.71 MAPT (0.47) HSD17B10KDM4EALDH1A1HPGDPARP1

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-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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 (3 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885

“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.