SCHEMBL22775433

SCHEMBL22775433

COc1ccccc1Cn1nc2cc([N+](=O)[O-])ccc2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
HTT P42858 3/20 0.47
GAA P10253 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 2/20 0.41

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
SCHEMBL29431173 1.00 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL29659774 0.79 KMT2A (0.43) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL22787644 0.78 ALDH1A1 (0.46) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL29613695 0.77 MEN1 (0.41) KMT2AMAPTMEN1ALDH1A1GAA
SCHEMBL28656371 0.71 HTT (0.37) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3208212 0.70 MAPT (0.60) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL3217202 0.69 MAPT (0.46) KMT2AMAPTMEN1ALDH1A1HTT
SCHEMBL22775556 0.69 P2RX7 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL1666611 0.67 KEAP1 (0.48) KMT2AMAPTMEN1ALDH1A1TDP1
SCHEMBL1666034 0.67 SLC29A1 (0.46) KMT2AMAPTMEN1ALDH1A1HTT

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
US-12552770-B2 Compounds for treating respiratory disease TMEM16A LIMITED (GB) 2026-02-17 US disclosed
EP-3983389-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-04-20 EP disclosed
US-20220098167-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM16A LTD (GB) 2022-03-31 US disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 WO disclosed
WO-2020249957-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE Enterprise Therapeutics Limited (GB) 2020-12-17 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 (2 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-12552770-B2 Compounds for treating respiratory disease TMEM109, SCN1A, SLC16A1 KMT2A 1602/4885MAPT 1158/4885MEN1 1176/4885
US-20220098167-A1 COMPOUNDS FOR TREATING RESPIRATORY DISEASE TMEM109, SLC16A1, CFTR KMT2A 3542/4885MAPT 1182/4885MEN1 1086/4885

“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.