SCHEMBL19869970

SCHEMBL19869970

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.51
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.40
POLB P06746 2/20 0.40
ALPL P05186 1/20 0.40
UTS2R Q9UKP6 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
HTR2C P28335 2/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL24556492 0.86 TSHR (0.42) HTR2ATSHRSMN1; SMN2MAPTPKM
SCHEMBL19869961 0.81 AAK1 (0.40) HTR2ATSHRSMN1; SMN2MAPTPKM
SCHEMBL19869947 0.78 POLB (0.60) HTR2ATSHRSMN1; SMN2PKMPOLB
SCHEMBL11739907 0.77 HTR2A (0.36) HTR2ATSHRSMN1; SMN2PKMPOLB
SCHEMBL19869789 0.74 BRD4 (0.61) TSHRSMN1; SMN2POLBGLAALDH1A1
SCHEMBL15473886 0.74 HTR6 (0.47) TSHRPKMPOLBKDM4EALDH1A1
SCHEMBL19869775 0.73 BRD9 (0.60) TSHRGLA
SCHEMBL1368208 0.70 CYP1A2 (0.44) TSHRSMN1; SMN2MAPTPOLBKDM4E
SCHEMBL11737320 0.70 KEAP1 (0.45) TSHRPKMPOLBKDM4EALDH1A1
SCHEMBL11743143 0.69 KDM4E (0.39) TSHRGAAKDM4EALDH1A1LMNA

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 HTR2A 2363/4885TSHR 1340/4885SMN1; SMN2 3471/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 HTR2A 2265/4885TSHR 1182/4885SMN1; SMN2 3596/4885

“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.