SCHEMBL5951185

SCHEMBL5951185

CC(C)c1nc2cc(F)c(C(C)C)cc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.56
EIF4A3 P38919 1/20 0.45
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
ALPG P10696 1/20 0.39
AAK1 Q2M2I8 3/20 0.39
CYP1A2 P05177 2/20 0.38
SCN10A Q9Y5Y9 3/20 0.37
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 3/20 0.36
USP2 O75604 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP3A4 P08684 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
SCHEMBL3265264 0.93 HSD17B10 (0.56) HSD17B10KDM4ELMNAEIF4A3ALPL
SCHEMBL4107335 0.87 HSD17B10 (0.61) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL19911168 0.85 HSD17B10 (0.62) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL15381396 0.83 KDM4E (0.46) HSD17B10KDM4ELMNAEIF4A3CYP1A2
SCHEMBL5990707 0.83 KDM4E (0.56) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL10284443 0.81 KDM4E (0.54) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL5989926 0.79 KDM4E (0.56) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL12938095 0.79 KDM4E (0.69) HSD17B10KDM4ELMNAALPLALPI
SCHEMBL24312993 0.79 KDM4E (0.51) HSD17B10KDM4ELMNAAAK1CYP1A2
SCHEMBL12777696 0.79 KDM4E (0.51) HSD17B10KDM4ELMNAALPLALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
US-9670463-B2 Inhibition and enhancement of reprogramming by chromatin modifying enzymes CHILDREN'S MEDICAL CENTER CORPORATION (US) 2017-06-06 US disclosed
US-9394279-B2 Anti-viral compounds ABBVIE INC. (US) 2016-07-19 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
US-20140155382-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. (US) 2014-06-05 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (9 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20140155382-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 HSD17B10 3010/4885KDM4E 63/4885LMNA 3103/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885KDM4E 2318/4885LMNA 3118/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 HSD17B10 4073/4885KDM4E 235/4885LMNA 3914/4885
US-20120172290-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.