SCHEMBL23199508

SCHEMBL23199508

O=[N+]([O-])c1cc(Cl)cnc1CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
AHR P35869 1/20 0.38
CHUK O15111 1/20 0.38
VCAM1 P19320 1/20 0.37
POLB P06746 2/20 0.36
PDE7A Q13946 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE7B Q9NP56 2/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIM3 Q86V86 1/20 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
SCHEMBL29923815 1.00 MAPK1 (0.38) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL10222534 0.83 NCOA1 (0.40) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL31213731 0.81 MEN1 (0.38) MAPK1POLBCYP1A2CYP3A4CYP2C19
SCHEMBL17727900 0.79 CYP1A2 (0.42) AHRPOLBCYP1A2CYP3A4HPGD
SCHEMBL17727901 0.79 CYP1A2 (0.42) AHRPOLBCYP1A2CYP3A4HPGD
SCHEMBL126682 0.77 TSHR (0.41) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL113455 0.76 MAPK1 (0.44) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL29445407 0.76 MAPK1 (0.44) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL203312 0.74 INPPL1 (0.46) MAPK1TSHRAHRCHUKVCAM1
SCHEMBL12161659 0.74 MAPK1 (0.42) MAPK1TSHRAHRCHUKVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112334458-B 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-11-08 CN disclosed
US-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-07-22 US disclosed
EP-3805212-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2021-04-14 EP disclosed
CN-112334458-A 3-indazolinone compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2021-02-05 CN disclosed
CN-110526898-A 3- indazole quinoline ketone compounds, preparation method and its in application pharmaceutically BEIJING INNOCARE PHARMA TECH CO LTD 2019-12-03 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 (1 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-20210221808-A1 3-OXAZOLINONE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL APPLICATION THEREOF IDO1, IDO2, INMT MAPK1 958/4885TSHR 3800/4885AHR 41/4885

“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.