SCHEMBL19869940

SCHEMBL19869940

Cc1cc(Br)ccc1C1(N2CCN(C)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
DUSP3 P51452 1/20 0.36
PTPN5 P54829 1/20 0.36
PTPN11 Q06124 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HRH4 Q9H3N8 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 1/20 0.33
HTR7 P34969 2/20 0.32

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
SCHEMBL19869954 0.81 GAA (0.40) ALDH1A1DUSP3PTPN5PTPN11CYP1A2
SCHEMBL31549175 0.76 OPRM1 (0.50) ALDH1A1DUSP3PTPN5PTPN11CYP1A2
SCHEMBL19869969 0.75 ALDH1A1 (0.44) ALDH1A1DUSP3PTPN5PTPN11NPC1
SCHEMBL24556576 0.73 BRD4 (0.38) BRD4
SCHEMBL19869749 0.73 BRD4 (0.47) BRD4
SCHEMBL27650939 0.72 HTR6 (0.36) NPC1RAB9AKMT2A
SCHEMBL24556491 0.70 BRD4 (0.30) BRD4
SCHEMBL30641872 0.68 IGF1R (0.46) ALDH1A1CYP1A2HTTHRH4KMT2A
SCHEMBL12499570 0.68 IGF1R (0.46) ALDH1A1CYP1A2HTTHRH4KMT2A
SCHEMBL19869957 0.66 OPRM1 (0.36) ALDH1A1KMT2AMAPTMEN1ALOX15

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 ALDH1A1 2654/4885DUSP3 1367/4885PTPN5 1911/4885
US-11319318-B2 Pyridinones and isoquinolinones as inhibitors of the bromodomain BRD9 BRD9, BRD1, BRD2 ALDH1A1 2461/4885DUSP3 1235/4885PTPN5 1684/4885

“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.