SCHEMBL17543791

SCHEMBL17543791

CCOc1cc(F)c(Br)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
FBP1 P09467 1/20 0.41
LMNA P02545 5/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSPB1 P04792 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL31434942 1.00 MAPT (0.45) MAPTFBP1LMNAALDH1A1GAA
SCHEMBL23932848 0.92 MAPT (0.40) MAPTFBP1LMNAALDH1A1GAA
SCHEMBL31415301 0.88 MAPT (0.42) MAPTFBP1LMNAALDH1A1GAA
SCHEMBL8405075 0.85 MAPT (0.48) MAPTLMNAALDH1A1GAAMAPK1
SCHEMBL29120833 0.84 THRA (0.46) MAPTLMNAALDH1A1GAAMAPK1
SCHEMBL29136555 0.84 MAPT (0.44) MAPTLMNAALDH1A1GAAPKM
SCHEMBL311208 0.83 MAPT (0.46) MAPTFBP1LMNAALDH1A1GAA
SCHEMBL310334 0.83 MAPT (0.46) MAPTLMNAALDH1A1GAAMAPK1
SCHEMBL10913465 0.82 MAPT (0.48) MAPTFBP1LMNAALDH1A1GAA
SCHEMBL12491675 0.82 ALDH1A1 (0.44) MAPTLMNAALDH1A1GAAPKM

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
WO-2024217481-A1 EGFR DEGRADING AGENT, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海齐鲁制药研究中心有限公司 2024-10-24 WO disclosed
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US disclosed
CN-116891502-A EGFR degrading agent 上海齐鲁制药研究中心有限公司 2023-10-17 CN disclosed
US-20230159556-A1 NOVEL PROTEIN KINASE INHIBITORS TENOVA PHARMACEUTICALS INC. 2023-05-25 US disclosed
US-20230159556-A1 NOVEL PROTEIN KINASE INHIBITORS TENOVA PHARMACEUTICALS INC. 2023-05-25 US disclosed
US-20230159556-A1 NOVEL PROTEIN KINASE INHIBITORS TENOVA PHARMACEUTICALS INC. 2023-05-25 US disclosed
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 CN disclosed
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 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 (6 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MAPT 1813/4885FBP1 1374/4885LMNA 3108/4885
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 MAPT 3765/4885FBP1 3407/4885LMNA 4731/4885
US-20230159556-A1 NOVEL PROTEIN KINASE INHIBITORS ERBB2, ALK, ERBB3 MAPT 2226/4885FBP1 2080/4885LMNA 2839/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MAPT 1813/4885FBP1 1374/4885LMNA 3108/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAPT 1813/4885FBP1 1374/4885LMNA 3108/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MAPT 1813/4885FBP1 1374/4885LMNA 3108/4885

“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.