SCHEMBL459443

SCHEMBL459443

COC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.51
KDM4E B2RXH2 6/20 0.49
ATR Q13535 1/20 0.47
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
ATM Q13315 1/20 0.45
AAK1 Q2M2I8 5/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NR4A2 P43354 1/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL19032231 0.89 ALDH1A1 (0.58) ABCG2ATRALDH1A1GAAAAK1
SCHEMBL31012013 0.89 ALDH1A1 (0.58) ABCG2ATRALDH1A1GAAAAK1
SCHEMBL31056956 0.87 ACLY (0.51) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL15932760 0.87 ACLY (0.51) AAK1NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL16257042 0.85 KDM4E (0.51) KDM4EATRALDH1A1HPGDGAA
SCHEMBL24137826 0.84 AAK1 (0.44) ABCG2ALDH1A1AAK1NPC1RECQL
SCHEMBL29130760 0.84 CYP17A1 (0.41) ABCG2KDM4EATRALDH1A1GAA
SCHEMBL29130739 0.84 ATR (0.42) ABCG2KDM4EATRALDH1A1GAA
SCHEMBL30369702 0.83 AAK1 (0.43) ABCG2AAK1NPC1RECQLRAB9A
SCHEMBL1519234 0.83 AAK1 (0.49) HPGDAAK1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2025-09-04 US disclosed
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. 2025-05-22 US disclosed
US-12275741-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2025-04-15 US disclosed
US-20250066358-A1 Inhibitors of Menin-MLL Interaction BALA THERAPEUTICS, INC. 2025-02-27 US disclosed
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2024-11-07 US disclosed
EP-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 EP disclosed
EP-4444313-A1 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 EP disclosed
CN-118647378-A Inhibitors of Mei Nen protein interaction with MLL 巴拉疗法公司 2024-09-13 CN disclosed
US-11952381-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2024-04-09 US disclosed
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-B1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL MYERS SQUIBB CO (US) 2014-12-31 EP disclosed
EP-2614052-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-07-17 EP disclosed
CN-103201268-A Novel piperazine analogs as broad-spectrum influenza antivirals BRISTOL MYERS SQUIBB CO 2013-07-10 CN disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 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 (7 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 ABCG2 270/4885KDM4E 3183/4885ATR 3137/4885
US-20250163061-A1 INHIBITORS OF MENIN-MLL INTERACTION MLLT1, MEN1, BMI1 ABCG2 4496/4885KDM4E 136/4885ATR 948/4885
US-12275741-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 ABCG2 2419/4885KDM4E 2153/4885ATR 3056/4885
US-20240368172-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 ABCG2 2419/4885KDM4E 2153/4885ATR 3056/4885
US-20250276976-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 ABCG2 2419/4885KDM4E 2153/4885ATR 3056/4885
US-20250066358-A1 Inhibitors of Menin-MLL Interaction MLLT1, MEN1, BMI1 ABCG2 4496/4885KDM4E 136/4885ATR 948/4885
US-11952381-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 ABCG2 2419/4885KDM4E 2153/4885ATR 3056/4885

“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.