SCHEMBL8403277

SCHEMBL8403277

Cc1cc([N+](=O)[O-])cc2c1OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 3/20 0.41
MCL1 Q07820 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.38
NQO2 P16083 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
VCP P55072 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
SCHEMBL8407494 0.86 MEN1 (0.45) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL26250411 0.79 ALDH1A1 (0.43) ALDH1A1TXNRD1TXNRD3TXNRD2MAPT
SCHEMBL26624965 0.79 MEN1 (0.47) ALDH1A1TSHRTXNRD1TXNRD3TXNRD2
SCHEMBL2087092 0.79 ALDH1A1 (0.50) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL9724874 0.75 TXNRD1 (0.49) ALDH1A1TDP1TXNRD1TXNRD3TXNRD2
SCHEMBL17659043 0.72 MAPT (0.50) ALDH1A1TDP1TSHRTXNRD1TXNRD3
SCHEMBL17659883 0.72 TXNRD1 (0.50) ALDH1A1TDP1TXNRD1TXNRD3TXNRD2
SCHEMBL9725006 0.71 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL7484667 0.71 ALDH1A1 (0.42) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL141303 0.71 MAPT (0.59) ALDH1A1MAPTMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104628910-B Catalyst for producing polypropylene with high isotacticity and preparation method thereof 中国石油天然气股份有限公司 2017-02-08 CN claimed
CN-104628910-A Catalyst for producing polypropylene with high isotacticity and preparation method thereof PETROCHINA CO LTD 2015-05-20 CN claimed
US-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2023-05-02 US disclosed
CN-104628910-B Catalyst for producing polypropylene with high isotacticity and preparation method thereof 中国石油天然气股份有限公司 2017-02-08 CN disclosed
CN-104628910-A Catalyst for producing polypropylene with high isotacticity and preparation method thereof PETROCHINA CO LTD 2015-05-20 CN disclosed
US-5965595-A SIDE EFFECT REDUCTION; TREATING NASAL CONGESTION AND OTHER ALPHA-2 ADRENORECEPTOR MODULATED DISORDERS, WILL NOT CAUSE HYPERTENSION THE PROCTER & GAMBLE COMPANY (US) 1999-10-12 US disclosed
US-5914342-A 2-imidazolinylamino heterocyclic compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1999-06-22 US disclosed
US-5663189-A RESPIRATORY, EYES, GASTROINTESTINAL THE PROCTER & GAMBLE COMPANY (US) 1997-09-02 US 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-11639355-B2 Substituted pyrrolo[3,4-d]imidazoles as MDM2-p53 inhibitors TP53, MDM2, TP53BP1 ALDH1A1 549/4885TDP1 46/4885TSHR 3546/4885

“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.