Sugi Predict

Sugi Predict / Compounds / SCHEMBL793922

SCHEMBL793922

SCHEMBL793922

O=c1[nH]ccn1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CMA1 P23946 2/20 0.36
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL20639836 0.90 MAPT (0.43) HSD17B10LMNAGAAMAPTKMT2A
SCHEMBL4666220 0.83 POLB (0.41) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL8356079 0.80 POLB (0.61) MGLLPOLBAPOBEC3GTDP1DDB1
SCHEMBL8723165 0.80 MGLL (0.41) MGLLPOLBAPOBEC3GTDP1DDB1
SCHEMBL12386349 0.80 TDP1 (0.41) MGLLPOLBAPOBEC3GTDP1DDB1
SCHEMBL16703411 0.80 POLB (0.39) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL4732529 0.79 DDB1 (0.59) MGLLPOLBAPOBEC3GTDP1DDB1
SCHEMBL5906085 0.77 TRPV1 (0.41) POLBAPOBEC3GTDP1DDB1CRBN
SCHEMBL21995599 0.76 CRBN (0.66) FAAHMGLLPOLBDDB1CRBN
SCHEMBL7401028 0.76 CYP19A1 (0.40) POLBAPOBEC3GTDP1DDB1CRBN

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 — — EP disclosed
EP-3042907-B1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF QUINGDAO HUANGHAI PHARMACEUTICAL CO LTD (CN) 2021-01-13 — — EP disclosed
CN-107406426-B Cyclic ureas as ROCK inhibitors 百时美施贵宝公司 2020-11-20 — — CN disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 — — EP disclosed
EP-3242873-B1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-07-22 — — EP disclosed
US-10123993-B2 Cyclic ureas as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-11-13 — — US disclosed
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 — — US disclosed
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-01-04 — — US disclosed
EP-3242873-A1 CYCLIC UREAS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2017-11-15 — — EP disclosed
US-9809604-B2 DGAT1 inhibitor and preparation method and use thereof QINGDAO HUANGHAI PHARMACEUTICAL CO., LTD. (CN) 2017-11-07 — — US disclosed
WO-2015024486-A1 DGAT1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF 南京明德新药研发股份有限公司 (CN) 2015-02-26 — — WO disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 — — EP disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 — — US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 — — US disclosed
US-20130165440-A1 JAK1 Inhibitors EXELIXIS, INC. (US) 2013-06-27 — — US disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 — — WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 — — WO disclosed
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof SANOFI-AVENTIS (FR) 2011-02-24 — — US disclosed
US-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. 2010-02-04 — — US disclosed
CN-101084201-A Triazolone, tetrazolone and imidazolone derivatives for use as alpha-2c adrenoreceptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-12-05 — — CN 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 (5 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-20100029620-A1 SUBSTITUTED TRIAZOLINE, TETRAZOLONE AND IMIDAZOLONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 FAAH 2354/4885MGLL 4489/4885POLB 2922/4885
US-20110046105-A1 Heterocycle-substituted imidazolidine-2,4-diones, process for preparation thereof, medicaments comprising them and use thereof GIPR, DDC, PGC FAAH 2104/4885MGLL 138/4885POLB 2947/4885
US-10123993-B2 Cyclic ureas as inhibitors of rock MYLK, ROCK1, UACA FAAH 2455/4885MGLL 4154/4885POLB 3024/4885
US-20130165440-A1 JAK1 Inhibitors JAK1, JAK2, JAK3 FAAH 3610/4885MGLL 4544/4885POLB 3726/4885
US-20180000788-A1 CYCLIC UREAS AS INHIBITORS OF ROCK MYLK, ROCK1, UACA FAAH 2455/4885MGLL 4154/4885POLB 3024/4885

“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.