SCHEMBL17868781

SCHEMBL17868781

COc1cc(CNC(C)C(OC)OC)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
HTR2A P28223 3/20 0.37
CASR P41180 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL16764313 0.86 MEN1 (0.60) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL30133794 0.76 MEN1 (0.54) KMT2AMEN1ALDH1A1KDM4ECASR
SCHEMBL25306525 0.75 MEN1 (0.50) KMT2AMEN1TDP1KDM4EMAPT
SCHEMBL22787583 0.73 HTR2A (0.36) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL12472188 0.73 CASR (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2CASR
SCHEMBL30381856 0.73 HTR2A (0.43) HTR2A
SCHEMBL17786868 0.71 CYP1A2 (0.53) KMT2AMEN1TDP1KDM4ESMN1; SMN2
SCHEMBL3327198 0.71 TSHR (0.44) KMT2AMEN1KDM4EMAPTL3MBTL1
SCHEMBL16991889 0.71 HTR2A (0.59) KMT2AMEN1ALDH1A1TDP1KDM4E
Hydrochloric Acid SCHEMBL999112 0.71 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2024-01-11 US disclosed
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions NOVARTIS AG (CH) 2023-06-13 US disclosed
EP-4105208-A1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS Novartis AG (CH) 2022-12-21 EP disclosed
EP-3027600-B1 1,4-DISUBSTITUTED PYRIDAZINE DERIVATIVES AND THEIR USE FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2022-04-06 EP disclosed
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2019-05-30 US disclosed
US-20160184305-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS NOVARTIS AG (CH) 2016-06-30 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 (4 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-20240009189-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 KMT2A 1481/4885MEN1 787/4885ALDH1A1 741/4885
US-20160184305-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, SCN5A, SF3B5 KMT2A 1623/4885MEN1 957/4885ALDH1A1 714/4885
US-20190160062-A1 1,4-DISUBSTITUTED PYRIDAZINE QUINOLNE ANALOGS THERE OF AND METHODS FOR TREATING SMN-DEFICIENCY-RELATED CONDITIONS SMN1; SMN2, CLN6, PMP22 KMT2A 1481/4885MEN1 787/4885ALDH1A1 741/4885
US-11672799-B2 1,4-disubstituted pyridazine quinolne analogs there of and methods for treating SMN-deficiency-related conditions SMN1; SMN2, CLN6, PMP22 KMT2A 1481/4885MEN1 787/4885ALDH1A1 741/4885

“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.