SCHEMBL595478

SCHEMBL595478

CN(CCO)c1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KDM4E B2RXH2 3/20 0.68
HCAR3 P49019 4/20 0.52
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39
ALDH3A1 P30838 1/20 0.39
S100A4 P26447 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL30660990 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL29250635 0.87 HCAR3 (0.50) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL1263855 0.84 HCAR3 (0.48) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL5697784 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL11335089 0.82 ALDH1A1 (0.68) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL6506822 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL30018445 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL18607583 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2
SCHEMBL7954120 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHCAR3MAPTMEN1
SCHEMBL11271443 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EHCAR3MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839931-B 1,2,3, 4-tetrahydroquinoxaline derivative, and preparation method and application thereof 上海和誉生物医药科技有限公司 2023-12-01 CN disclosed
US-20220009894-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-01-13 US disclosed
EP-3915977-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2021-12-01 EP disclosed
CN-112839931-A 1,2,3, 4-tetrahydroquinoxaline derivative and preparation method and application thereof 上海和誉生物医药科技有限公司 2021-05-25 CN disclosed
WO-2020151232-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-07-30 WO disclosed
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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 (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-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN ALDH1A1 4181/4885KDM4E 527/4885HCAR3 1708/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX ALDH1A1 3814/4885KDM4E 2909/4885HCAR3 3730/4885
US-20220009894-A1 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORA, RORB, RORC ALDH1A1 248/4885KDM4E 1636/4885HCAR3 605/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX ALDH1A1 3814/4885KDM4E 2909/4885HCAR3 3730/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN ALDH1A1 4181/4885KDM4E 527/4885HCAR3 1708/4885

“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.