SCHEMBL19869961

SCHEMBL19869961

COc1cc(S(=O)(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c(OC)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 1/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 3/20 0.36
ALPL P05186 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19869970 0.81 HTR2A (0.51) TSHRSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL24556492 0.77 TSHR (0.42) TSHRSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL1934153 0.74 HTT (0.46) AAK1MTNR1AMTNR1BALDH1A1HTT
SCHEMBL4468750 0.72 PDK2 (0.41) AAK1MTNR1AMTNR1BTSHRALDH1A1
SCHEMBL15273813 0.71 AAK1 (0.39) AAK1MTNR1AMTNR1BALDH1A1HTT
SCHEMBL25710597 0.69 HTR2A (0.57) AAK1MTNR1AMTNR1BHTR2A
SCHEMBL17276746 0.69 CA14 (0.36) MEN1KMT2A
SCHEMBL10260946 0.68 HDAC6 (0.40) AAK1
SCHEMBL18742268 0.68 AAK1 (0.45) AAK1SMN1; SMN2POLBGAALMNA
SCHEMBL23575677 0.67 MTNR1A (0.39) AAK1MTNR1AMTNR1BALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3265453-B1 NEW PYRIDINONES AND ISOQUINOLINONES AS INHIBITORS OF THE BROMODOMAIN BRD9 BOEHRINGER INGELHEIM INT (DE) 2022-06-29 EP disclosed
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-03 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 US disclosed
US-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-15 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 (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-20180044335-A1 New Pyridinones and Isoquinolinones as Inhibitors of the Bromodomain BRD9 BRD9, BRD1, BRD2 AAK1 1552/4885MTNR1A 852/4885MTNR1B 536/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 AAK1 1611/4885MTNR1A 780/4885MTNR1B 431/4885

“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.