Sugi Predict

Sugi Predict / Compounds / SCHEMBL299870

SCHEMBL299870

SCHEMBL299870

NC(=O)c1ccccc1-n1cncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ TPH1 P17752 1/20 0.39

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
SCHEMBL403908 0.86 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ALMNAALDH1A1
SCHEMBL30982330 0.86 HCRTR1 (0.51) HCRTR1HCRTR2KMT2ALMNAALDH1A1
SCHEMBL28642575 0.81 CYP1A2 (0.56) HCRTR1HCRTR2KMT2ALMNAALDH1A1
SCHEMBL10475608 0.81 KMT2A (0.51) HCRTR1HCRTR2KMT2AALDH1A1KDM4E
SCHEMBL885410 0.80 SIRT3 (0.49) HCRTR1HCRTR2KMT2ALMNAALDH1A1
SCHEMBL945426 0.78 CYP2A6 (0.41) HCRTR1HCRTR2KMT2ALMNAALDH1A1
SCHEMBL885409 0.78 PARP1 (0.44) NPC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL28401471 0.76 PARP1 (0.42) NPC1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3544059 0.76 NPC1 (0.49) HCRTR1HCRTR2NPC1KMT2ALMNA
SCHEMBL3328193 0.75 NPC1 (0.57) NPC1KMT2AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925322-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2015-10-07 — — EP claimed
WO-2014085210-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-06-05 — — WO claimed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP claimed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — WO claimed
US-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2023-12-26 — — US disclosed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 — — US disclosed
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2021-11-11 — — US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 — — US disclosed
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels ONO PHARMACEUTICAL CO., LTD. (JP) 2021-06-29 — — US disclosed
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS ONO PHARMACEUTICAL CO., LTD. (JP) 2019-10-24 — — US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 — — US disclosed
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer Epizyme, Inc. (US) 2019-04-23 — — US disclosed
EP-3258929-A1 FACTOR IXa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-12-27 — — EP disclosed
US-20170355695-A1 SMYD Inhibitors Epizyme, Inc. (US) 2017-12-14 — — US disclosed
WO-2016133793-A1 FACTOR IXa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-25 — — WO disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 — — WO disclosed
EP-2427439-A1 N- ( 4-PERFLUOROALKYL-PHENYL) -4-TRIAZOLYL-BENZAMIDES AS INSECTICIDES Syngenta Participations AG (CH) 2012-03-14 — — EP disclosed
EP-2205576-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS AstraZeneca AB (SE) 2010-07-14 — — EP disclosed
WO-2009047558-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-16 — — 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 (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-11851428-B2 Activator of TREK (TWIK RElated K+channels) channels KCNJ11, KCNJ1, KCNJ8 HCRTR1 2066/4885HCRTR2 1399/4885NPC1 380/4885
US-10266526-B2 Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer SMYD3, SMYD2, SNRPD3 HCRTR1 4300/4885HCRTR2 4173/4885NPC1 3576/4885
US-20190322662-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 HCRTR1 2066/4885HCRTR2 1399/4885NPC1 380/4885
US-20170355695-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 HCRTR1 4228/4885HCRTR2 3969/4885NPC1 3715/4885
US-11046683-B2 Activator of TREK (TWIK RElated K+ channels) channels KCNJ11, KCNJ1, KCNJ8 HCRTR1 2066/4885HCRTR2 1399/4885NPC1 380/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 HCRTR1 4215/4885HCRTR2 3979/4885NPC1 3734/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 HCRTR1 4006/4885HCRTR2 3749/4885NPC1 3830/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 HCRTR1 4236/4885HCRTR2 3969/4885NPC1 3716/4885
US-20210347773-A1 ACTIVATOR OF TREK (TWIK RELATED K+ CHANNELS) CHANNELS KCNJ11, KCNJ1, KCNJ8 HCRTR1 2066/4885HCRTR2 1399/4885NPC1 380/4885

“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.