SCHEMBL5428356

SCHEMBL5428356

CC(C)(C)OC(=O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
THRB P10828 2/20 0.47
GAA P10253 1/20 0.47
HIF1A Q16665 1/20 0.46
MAPT P10636 7/20 0.45
NPC1 O15118 4/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NR3C2 P08235 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX5 P09917 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL31560140 0.88 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1THRBGAA
SCHEMBL3758268 0.88 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1THRBGAA
SCHEMBL6760215 0.84 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1GAAMAPT
SCHEMBL2616115 0.84 L3MBTL1 (0.57) ALDH1A1L3MBTL1THRBGAAMAPT
SCHEMBL31656235 0.84 L3MBTL1 (0.57) ALDH1A1L3MBTL1THRBGAAMAPT
SCHEMBL194989 0.83 ALDH1A1 (0.59) ALDH1A1HTTL3MBTL1THRBGAA
SCHEMBL30062014 0.83 ALDH1A1 (0.59) ALDH1A1HTTL3MBTL1THRBGAA
SCHEMBL25410674 0.82 NR3C2 (0.43) ALDH1A1HTTL3MBTL1MAPTNPC1
SCHEMBL6759109 0.82 GAA (0.56) GAAMAPTLMNAKDM4EMEN1
SCHEMBL6704249 0.82 NR3C2 (0.43) ALDH1A1HTTL3MBTL1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119241559-A Quinazoline macrocyclic compound serving as HPK1 kinase inhibitor and preparation method and application thereof 深圳市新樾生物科技有限公司 2025-01-03 CN disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
WO-2012142457-A2 MACROLACTAM COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA THE BROAD INSTITUTE, INC. (US) 2012-10-18 WO disclosed
WO-2012142457-A2 MACROLACTAM COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA THE BROAD INSTITUTE, INC. (US) 2012-10-18 WO disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
EP-1690863-A1 NOVEL CONDENSED IMIDAZOLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-08-16 EP disclosed
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
US-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-09-25 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP 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-20030181766-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them F2, SERPINC1, F12 ALDH1A1 1785/4885HTT 1647/4885L3MBTL1 3494/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 ALDH1A1 63/4885HTT 4674/4885L3MBTL1 97/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 ALDH1A1 2519/4885HTT 3547/4885L3MBTL1 1817/4885

“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.