SCHEMBL594384

SCHEMBL594384

CC(=O)N1CCCc2ccc(Br)cc21

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.62
HSD17B3 P37058 2/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 4/20 0.49
LMNA P02545 1/20 0.49
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
OGG1 O15527 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
BRD4 O60885 1/20 0.46
ATAD2 Q6PL18 1/20 0.46
AVPR2 P30518 1/20 0.46
AVPR1A P37288 1/20 0.46

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
SCHEMBL29620859 1.00 NOTUM (0.62) NOTUMHSD17B3MEN1KMT2ATDP1
SCHEMBL4543419 0.90 NOTUM (0.67) NOTUMHSD17B3LMNAGAA
SCHEMBL698648 0.88 NOTUM (0.62) NOTUMHSD17B3MEN1KMT2ATP53
SCHEMBL27957042 0.86 MEN1 (0.51) NOTUMHSD17B3MEN1KMT2ALMNA
SCHEMBL31758744 0.84 HSD17B3 (0.55) NOTUMHSD17B3MEN1KMT2ALMNA
SCHEMBL12559522 0.83 NOTUM (0.64) NOTUMMEN1KMT2ATDP1TP53
SCHEMBL21678176 0.83 NOTUM (0.64) NOTUMMEN1KMT2ATDP1TP53
SCHEMBL24011066 0.81 NOTUM (0.63) NOTUMTDP1TP53LMNAPDK1
SCHEMBL3585586 0.81 BRD4 (0.68) NOTUMHSD17B3TDP1TP53LMNA
SCHEMBL24011072 0.81 NOTUM (0.62) NOTUMMEN1KMT2ATDP1TP53

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2021-06-03 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO 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 (5 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX NOTUM 4716/4885HSD17B3 3479/4885MEN1 2968/4885
US-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 NOTUM 2254/4885HSD17B3 2551/4885MEN1 2649/4885
US-20210163460-A1 ANTIBACTERIAL COMPOUNDS CFTR, MRPL21, NQO1 NOTUM 2254/4885HSD17B3 2551/4885MEN1 2649/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX NOTUM 4716/4885HSD17B3 3479/4885MEN1 2968/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX NOTUM 4716/4885HSD17B3 3479/4885MEN1 2968/4885

“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.