SCHEMBL19869936

SCHEMBL19869936

COc1cc(Br)ccc1CN1CCN(C)C(C)C1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 1/20 0.52
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CCR5 P51681 1/20 0.47
TSHR P16473 1/20 0.47
TACR1 P25103 2/20 0.46
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL19869956 0.81 GAA (0.66) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL6604508 0.78 KDM4E (0.80) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL19869935 0.77 KDM4E (0.54) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL19869696 0.77 TRPV6 (0.54) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL1427564 0.76 KDM4E (0.83) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL19869750 0.76 BRD4 (0.59) ALDH1A1TSHR
SCHEMBL4591936 0.75 KDM4E (0.70) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL18227502 0.74 KDM4E (0.61) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL19086425 0.73 KDM4E (0.61) TRPV6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL26702308 0.72 TRPV6 (0.67) TRPV6KDM4ETDP1ALDH1A1KMT2A

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 TRPV6 3899/4885KDM4E 1154/4885TDP1 1473/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 TRPV6 3797/4885KDM4E 1262/4885TDP1 1708/4885

“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.