Sugi Predict

Sugi Predict / Compounds / SCHEMBL933086

SCHEMBL933086

SCHEMBL933086

NCc1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.42
▸ S100A4 P26447 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ TDP1 Q9NUW8 5/20 0.40
▸ TSHR P16473 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CCR5 P51681 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CTSB P07858 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL1939251 0.86 TDP1 (0.42) ACHES100A4TRPV1TDP1TSHR
SCHEMBL31272132 0.85 S100A4 (0.45) ACHES100A4TRPV1TDP1TSHR
SCHEMBL961045 0.85 S100A4 (0.45) ACHES100A4TRPV1TDP1TSHR
SCHEMBL2124815 0.83 ACHE (0.43) ACHES100A4TRPV1TDP1TSHR
SCHEMBL29561837 0.83 ACHE (0.43) ACHES100A4TRPV1TDP1TSHR
SCHEMBL2953964 0.83 ACHE (0.43) ACHES100A4TRPV1TDP1TSHR
SCHEMBL16951743 0.81 ALDH1A1 (0.43) ACHES100A4TRPV1TSHRALDH1A1
SCHEMBL27661304 0.81 ACHE (0.42) ACHES100A4TRPV1TDP1TSHR
SCHEMBL31164660 0.81 ALDH1A1 (0.43) ACHES100A4TRPV1TSHRALDH1A1
SCHEMBL28358750 0.80 ACHE (0.41) ACHES100A4TRPV1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 — — US disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 — — US disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 — — US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 — — US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 — — US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 — — US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 — — US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 — — US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 — — US disclosed
US-9145388-B2 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-29 — — US disclosed
WO-2011012622-A1 BENZOXAZINONE DERIVATIVES FOR THE TREATMENT OF GLYTL MEDIATED DISORDERS GLAXO GROUP LIMITED (GB) 2011-02-03 — — WO disclosed
US-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 — — US disclosed
WO-2011001115-A1 NOVEL 6-MORPHOLIN-4-YL-PYRIMIDIN-4-(3H)-ONE DERIVATIVES, AND THE PHARMACEUTICAL PREPARATION THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI-AVENTIS (FR) 2011-01-06 — — WO disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 — — EP disclosed
WO-2010010157-A2 INHIBITORS OF 11beta-HYDROXYSTEROID DEHYDROGENASE 1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 — — WO disclosed
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2009-10-15 — — US disclosed
CN-101553490-A Bicyclic triazoles as protein kinase modulators SGX PHARMACEUTICALS INC (US) 2009-10-07 — — CN disclosed
EP-2084162-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-08-05 — — EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 — — WO disclosed
WO-2008051808-A2 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 — — 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 (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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 ACHE 3450/4885S100A4 4479/4885TRPV1 4804/4885
US-20090258855-A1 BICYCLIC TRIAZOLES AS PROTEIN KINASE MODULATORS MAP3K20, TTK, PRKACB ACHE 4646/4885S100A4 4256/4885TRPV1 3343/4885
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B ACHE 695/4885S100A4 2483/4885TRPV1 367/4885

“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.